N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane

C135H144Cl8F4N24O16S4 — CID 160780528

IUPACN-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane
SMILESC.C.C.Cn1nnc(C[C@@H]2O[C@H](c3cccc(Cl)c3)C(c3ccc(Cl)cc3)N([C@H](CN(c3ccccc3F)S(=O)(=O)C3CC3)C3CC3)C2=O)n1.Cn1nnc(C[C@H]2O[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N([C@H](CN(c3ccccc3F)S(=O)(=O)C3CC3)C3CC3)C2=O)n1.Cn1nnnc1C[C@@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CN(c2ccccc2F)S(=O)(=O)C2CC2)C2CC2)C1=O.Cn1nnnc1C[C@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CN(c2ccccc2F)S(=O)(=O)C2CC2)C2CC2)C1=O
InChIInChI=1S/4C33H33Cl2FN6O4S.3CH4/c2*1-40-30(37-38-39-40)18-29-33(43)42(31(21-11-13-23(34)14-12-21)32(46-29)22-5-4-6-24(35)17-22)28(20-9-10-20)19-41(47(44,45)25-15-16-25)27-8-3-2-7-26(27)36;2*1-40-38-30(37-39-40)18-29-33(43)42(31(21-11-13-23(34)14-12-21)32(46-29)22-5-4-6-24(35)17-22)28(20-9-10-20)19-41(47(44,45)25-15-16-25)27-8-3-2-7-26(27)36;;;/h4*2-8,11-14,17,20,25,28-29,31-32H,9-10,15-16,18-19H2,1H3;3*1H4/t28-,29+,31-,32-;28-,29-,31-,32-;28-,29+,31?,32-;28-,29-,31-,32-;;;/m1111.../s1
InChIKeySANAGTYSFNCIJV-NIXWFYSFSA-N
MW2846.67 g/mol
LogP24.65
Rot. Bonds44

About N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane

N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane (PubChem CID 160780528) has the molecular formula C135H144Cl8F4N24O16S4 and a molecular weight of 2846.67 g/mol. Its IUPAC name is N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane.

Molecular Properties

Compound NameN-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane
PubChem CID160780528
Molecular FormulaC135H144Cl8F4N24O16S4
Molecular Weight2846.67 g/mol
Exact Mass2840.75
IUPAC NameN-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane
SMILESC.C.C.Cn1nnc(C[C@@H]2O[C@H](c3cccc(Cl)c3)C(c3ccc(Cl)cc3)N([C@H](CN(c3ccccc3F)S(=O)(=O)C3CC3)C3CC3)C2=O)n1.Cn1nnc(C[C@H]2O[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N([C@H](CN(c3ccccc3F)S(=O)(=O)C3CC3)C3CC3)C2=O)n1.Cn1nnnc1C[C@@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CN(c2ccccc2F)S(=O)(=O)C2CC2)C2CC2)C1=O.Cn1nnnc1C[C@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CN(c2ccccc2F)S(=O)(=O)C2CC2)C2CC2)C1=O
InChIInChI=1S/4C33H33Cl2FN6O4S.3CH4/c2*1-40-30(37-38-39-40)18-29-33(43)42(31(21-11-13-23(34)14-12-21)32(46-29)22-5-4-6-24(35)17-22)28(20-9-10-20)19-41(47(44,45)25-15-16-25)27-8-3-2-7-26(27)36;2*1-40-38-30(37-39-40)18-29-33(43)42(31(21-11-13-23(34)14-12-21)32(46-29)22-5-4-6-24(35)17-22)28(20-9-10-20)19-41(47(44,45)25-15-16-25)27-8-3-2-7-26(27)36;;;/h4*2-8,11-14,17,20,25,28-29,31-32H,9-10,15-16,18-19H2,1H3;3*1H4/t28-,29+,31-,32-;28-,29-,31-,32-;28-,29+,31?,32-;28-,29-,31-,32-;;;/m1111.../s1
InChIKeySANAGTYSFNCIJV-NIXWFYSFSA-N
XLogP24.65
TPSA442.08 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002846.67
LogP ≤ 524.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane with MolForge

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Related Compounds

N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
CID 89490638
N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
CID 90341731
N-[2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-(2H-tetrazol-5-ylmethyl)morpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
CID 90341641
2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-(N-cyclopropylsulfonyl-2-fluoroanilino)ethyl]-3-oxomorpholin-2-yl]acetic acid
CID 89490691
N-[2-[(2R,5R,6R)-2-[2-(2-acetylhydrazinyl)-2-oxoethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide
CID 90341673
ethyl 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[1-cyclopropyl-2-(N-cyclopropylsulfonyl-2-fluoroanilino)ethyl]-3-oxomorpholine-2-carboxylate
CID 123655906
2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-(N-cyclopropylsulfonyl-2-fluoroanilino)ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide
CID 89490946
2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-(N-cyclopropylsulfonyl-2-fluoroanilino)ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide
CID 89490950
2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2R)-1-(N-cyclopropylsulfonyl-2-fluoroanilino)propan-2-yl]-3-oxomorpholin-2-yl]acetic acid
CID 90347807
2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[1-(N-cyclopropylsulfonyl-2-fluoroanilino)butan-2-yl]-3-oxomorpholin-2-yl]acetic acid
CID 90341781
2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[cyclopropylsulfonyl-(3-fluoro-2-pyridinyl)amino]ethyl]-3-oxomorpholin-2-yl]acetic acid
CID 89490548
2-[4-[1-(1-bicyclo[1.1.0]butanyl)-2-(N-cyclopropylsulfonyl-2-fluoroanilino)ethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]-N-methylacetamide
CID 123509254

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane?
The IUPAC name of N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane (CID 160780528) is N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane.
What is the SMILES notation for N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane?
The canonical SMILES for N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane is C.C.C.Cn1nnc(C[C@@H]2O[C@H](c3cccc(Cl)c3)C(c3ccc(Cl)cc3)N([C@H](CN(c3ccccc3F)S(=O)(=O)C3CC3)C3CC3)C2=O)n1.Cn1nnc(C[C@H]2O[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N([C@H](CN(c3ccccc3F)S(=O)(=O)C3CC3)C3CC3)C2=O)n1.Cn1nnnc1C[C@@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CN(c2ccccc2F)S(=O)(=O)C2CC2)C2CC2)C1=O.Cn1nnnc1C[C@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CN(c2ccccc2F)S(=O)(=O)C2CC2)C2CC2)C1=O.
What is the InChIKey of N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane?
The InChIKey is SANAGTYSFNCIJV-NIXWFYSFSA-N. The full InChI is InChI=1S/4C33H33Cl2FN6O4S.3CH4/c2*1-40-30(37-38-39-40)18-29-33(43)42(31(21-11-13-23(34)14-12-21)32(46-29)22-5-4-6-24(35)17-22)28(20-9-10-20)19-41(47(44,45)25-15-16-25)27-8-3-2-7-26(27)36;2*1-40-38-30(37-39-40)18-29-33(43)42(31(21-11-13-23(34)14-12-21)32(46-29)22-5-4-6-24(35)17-22)28(20-9-10-20)19-41(47(44,45)25-15-16-25)27-8-3-2-7-26(27)36;;;/h4*2-8,11-14,17,20,25,28-29,31-32H,9-10,15-16,18-19H2,1H3;3*1H4/t28-,29+,31-,32-;28-,29-,31-,32-;28-,29+,31?,32-;28-,29-,31-,32-;;;/m1111.../s1.
What are the key properties of N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane?
N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane has a molecular weight of 2846.67 g/mol, XLogP of 24.65, 44 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(1-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;N-[(2S)-2-[(2R,3R,6R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-[(2-methyltetrazol-5-yl)methyl]-5-oxomorpholin-4-yl]-2-cyclopropylethyl]-N-(2-fluorophenyl)cyclopropanesulfonamide;methane is sourced from PubChem (CID 160780528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).