4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

C53H56N2O10S2 — CID 157172855

IUPAC4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(CC(=O)c4cccc(OC)c4)ccc3CC[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(CC(=O)c4cccc(OC)c4)ccc3C[C@H]2O)cc1
InChIInChI=1S/C27H29NO5S.C26H27NO5S/c1-3-18-8-12-23(13-9-18)34(31,32)28-27-24-15-19(7-10-20(24)11-14-25(27)29)16-26(30)21-5-4-6-22(17-21)33-2;1-3-17-8-11-22(12-9-17)33(30,31)27-26-23-13-18(7-10-19(23)16-25(26)29)14-24(28)20-5-4-6-21(15-20)32-2/h4-10,12-13,15,17,25,27-29H,3,11,14,16H2,1-2H3;4-13,15,25-27,29H,3,14,16H2,1-2H3/t25-,27-;25-,26-/m11/s1
InChIKeyANRBXPHVNQGYST-JNDVQVQFSA-N
MW945.17 g/mol
LogP7.63
Rot. Bonds16

About 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (PubChem CID 157172855) has the molecular formula C53H56N2O10S2 and a molecular weight of 945.17 g/mol. Its IUPAC name is 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
PubChem CID157172855
Molecular FormulaC53H56N2O10S2
Molecular Weight945.17 g/mol
Exact Mass944.34
IUPAC Name4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(CC(=O)c4cccc(OC)c4)ccc3CC[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(CC(=O)c4cccc(OC)c4)ccc3C[C@H]2O)cc1
InChIInChI=1S/C27H29NO5S.C26H27NO5S/c1-3-18-8-12-23(13-9-18)34(31,32)28-27-24-15-19(7-10-20(24)11-14-25(27)29)16-26(30)21-5-4-6-22(17-21)33-2;1-3-17-8-11-22(12-9-17)33(30,31)27-26-23-13-18(7-10-19(23)16-25(26)29)14-24(28)20-5-4-6-21(15-20)32-2/h4-10,12-13,15,17,25,27-29H,3,11,14,16H2,1-2H3;4-13,15,25-27,29H,3,14,16H2,1-2H3/t25-,27-;25-,26-/m11/s1
InChIKeyANRBXPHVNQGYST-JNDVQVQFSA-N
XLogP7.63
TPSA185.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.17
LogP ≤ 57.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide with MolForge

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Related Compounds

4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 58290817
N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 44574214
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide
CID 59984973
2-(3-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 43338181
[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108563317
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
2-benzyl-1-[(2R,3R)-3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-3-isocyanoguanidine
CID 59033801
N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 37435447
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245
4-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (CID 157172855) is 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(CC(=O)c4cccc(OC)c4)ccc3CC[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(CC(=O)c4cccc(OC)c4)ccc3C[C@H]2O)cc1.
What is the InChIKey of 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The InChIKey is ANRBXPHVNQGYST-JNDVQVQFSA-N. The full InChI is InChI=1S/C27H29NO5S.C26H27NO5S/c1-3-18-8-12-23(13-9-18)34(31,32)28-27-24-15-19(7-10-20(24)11-14-25(27)29)16-26(30)21-5-4-6-22(17-21)33-2;1-3-17-8-11-22(12-9-17)33(30,31)27-26-23-13-18(7-10-19(23)16-25(26)29)14-24(28)20-5-4-6-21(15-20)32-2/h4-10,12-13,15,17,25,27-29H,3,11,14,16H2,1-2H3;4-13,15,25-27,29H,3,14,16H2,1-2H3/t25-,27-;25-,26-/m11/s1.
What are the key properties of 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide has a molecular weight of 945.17 g/mol, XLogP of 7.63, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 157172855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).