1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide

C36H41N5O6S — CID 140538253

IUPAC1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)[C@](c3cc(CN4CCCCC4)ccc3OC)(N3CCCC3C(=O)N(C)C)c3cc(C#N)ccc32)cc1
InChIInChI=1S/C36H41N5O6S/c1-38(2)34(42)32-9-8-20-40(32)36(30-22-26(11-17-33(30)47-4)24-39-18-6-5-7-19-39)29-21-25(23-37)10-16-31(29)41(35(36)43)48(44,45)28-14-12-27(46-3)13-15-28/h10-17,21-22,32H,5-9,18-20,24H2,1-4H3/t32?,36-/m0/s1
InChIKeyKHDABUMYZQAIOL-UYQMNGSLSA-N
MW671.82 g/mol
LogP4.09
Rot. Bonds9

About 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 140538253) has the molecular formula C36H41N5O6S and a molecular weight of 671.82 g/mol. Its IUPAC name is 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID140538253
Molecular FormulaC36H41N5O6S
Molecular Weight671.82 g/mol
Exact Mass671.28
IUPAC Name1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)[C@](c3cc(CN4CCCCC4)ccc3OC)(N3CCCC3C(=O)N(C)C)c3cc(C#N)ccc32)cc1
InChIInChI=1S/C36H41N5O6S/c1-38(2)34(42)32-9-8-20-40(32)36(30-22-26(11-17-33(30)47-4)24-39-18-6-5-7-19-39)29-21-25(23-37)10-16-31(29)41(35(36)43)48(44,45)28-14-12-27(46-3)13-15-28/h10-17,21-22,32H,5-9,18-20,24H2,1-4H3/t32?,36-/m0/s1
InChIKeyKHDABUMYZQAIOL-UYQMNGSLSA-N
XLogP4.09
TPSA123.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.82
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 140538253) is 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)[C@](c3cc(CN4CCCCC4)ccc3OC)(N3CCCC3C(=O)N(C)C)c3cc(C#N)ccc32)cc1.
What is the InChIKey of 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is KHDABUMYZQAIOL-UYQMNGSLSA-N. The full InChI is InChI=1S/C36H41N5O6S/c1-38(2)34(42)32-9-8-20-40(32)36(30-22-26(11-17-33(30)47-4)24-39-18-6-5-7-19-39)29-21-25(23-37)10-16-31(29)41(35(36)43)48(44,45)28-14-12-27(46-3)13-15-28/h10-17,21-22,32H,5-9,18-20,24H2,1-4H3/t32?,36-/m0/s1.
What are the key properties of 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 671.82 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-5-cyano-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(piperidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 140538253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).