N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide

C35H49N5O6S2 — CID 140559510

IUPACN-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
SMILESCCc1cc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(C(C)C)N2CCN(Cc3csc(C)n3)C2=O)ccc1O
InChIInChI=1S/C35H49N5O6S2/c1-7-27-18-29(13-14-31(27)41)48(45,46)39(19-23(2)3)21-32(42)30(17-26-11-9-8-10-12-26)37-34(43)33(24(4)5)40-16-15-38(35(40)44)20-28-22-47-25(6)36-28/h8-14,18,22-24,30,32-33,41-42H,7,15-17,19-21H2,1-6H3,(H,37,43)/t30-,32+,33?/m0/s1
InChIKeyMOUZSEGPWNEHHL-UGEYMSBJSA-N
MW699.94 g/mol
LogP4.42
Rot. Bonds16

About N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide

N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide (PubChem CID 140559510) has the molecular formula C35H49N5O6S2 and a molecular weight of 699.94 g/mol. Its IUPAC name is N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
PubChem CID140559510
Molecular FormulaC35H49N5O6S2
Molecular Weight699.94 g/mol
Exact Mass699.31
IUPAC NameN-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
SMILESCCc1cc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(C(C)C)N2CCN(Cc3csc(C)n3)C2=O)ccc1O
InChIInChI=1S/C35H49N5O6S2/c1-7-27-18-29(13-14-31(27)41)48(45,46)39(19-23(2)3)21-32(42)30(17-26-11-9-8-10-12-26)37-34(43)33(24(4)5)40-16-15-38(35(40)44)20-28-22-47-25(6)36-28/h8-14,18,22-24,30,32-33,41-42H,7,15-17,19-21H2,1-6H3,(H,37,43)/t30-,32+,33?/m0/s1
InChIKeyMOUZSEGPWNEHHL-UGEYMSBJSA-N
XLogP4.42
TPSA143.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500699.94
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide with MolForge

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Related Compounds

N-[(2S,3R)-3-hydroxy-4-[[4-hydroxy-3-(methylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 140559362
(2S)-N-[(2S,3S)-4-[(3-fluoro-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 66891837
N-[(2S,3R)-4-[(3-acetamido-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 140559687
(2S)-N-[(2S,3S)-3-hydroxy-4-[[4-hydroxy-3-(methanesulfonamido)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 66890919
N-[(2S,3R)-4-[[3-(ethylcarbamoylamino)-4-hydroxyphenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 140559438
(2S)-N-[(2S,3R)-4-[(3,4-dibromophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 66891239
(2S)-N-[(2S,3S)-4-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 66891759
(2S)-N-[(2S,3S)-4-[(4-ethenylphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 66889028
(2S)-N-[(2S,3R)-4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 5278360
(2S)-N-[(2S,3R)-3-hydroxy-4-[[4-hydroxy-3-(pyridin-3-ylsulfonylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 66891544
(2S)-N-[(2S,3R)-3-hydroxy-4-[[4-hydroxy-3-[(1-methylimidazol-4-yl)sulfonylamino]phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 66891439
N-[(2S,3R)-4-[(5-fluoro-4-hydroxy-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
CID 140559281

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide?
The IUPAC name of N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide (CID 140559510) is N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide.
What is the SMILES notation for N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide?
The canonical SMILES for N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide is CCc1cc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(C(C)C)N2CCN(Cc3csc(C)n3)C2=O)ccc1O.
What is the InChIKey of N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide?
The InChIKey is MOUZSEGPWNEHHL-UGEYMSBJSA-N. The full InChI is InChI=1S/C35H49N5O6S2/c1-7-27-18-29(13-14-31(27)41)48(45,46)39(19-23(2)3)21-32(42)30(17-26-11-9-8-10-12-26)37-34(43)33(24(4)5)40-16-15-38(35(40)44)20-28-22-47-25(6)36-28/h8-14,18,22-24,30,32-33,41-42H,7,15-17,19-21H2,1-6H3,(H,37,43)/t30-,32+,33?/m0/s1.
What are the key properties of N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide?
N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide has a molecular weight of 699.94 g/mol, XLogP of 4.42, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-[(3-ethyl-4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide is sourced from PubChem (CID 140559510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).