(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

C19H22N2O4S2 — CID 26719840

IUPAC(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-25-15-8-10-17(11-9-15)27(23,24)21-12-4-7-18(21)19(22)20-14-5-3-6-16(13-14)26-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyDIUDVHGBTFDFCN-SFHVURJKSA-N
MW406.53 g/mol
LogP3.21
Rot. Bonds6

About (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide (PubChem CID 26719840) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
PubChem CID26719840
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-25-15-8-10-17(11-9-15)27(23,24)21-12-4-7-18(21)19(22)20-14-5-3-6-16(13-14)26-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyDIUDVHGBTFDFCN-SFHVURJKSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-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

Related Compounds

Act-462206
CID 40924317
2-(carbamoylamino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylsulfanylbutanamide
CID 3930725
(2S)-1-(2-fluorophenyl)sulfonyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16247664
1-((4-methoxyphenyl)sulfonyl)-N-(p-tolyl)pyrrolidine-2-carboxamide
CID 651337
N-(4-fluorophenyl)-2-[[(4-methoxyphenyl)sulfonyl](methyl)amino]acetamide
CID 982320
N-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 982324
N-cyclopentyl-N~2~-[(4-ethoxyphenyl)sulfonyl]-N~2~-(4-fluorophenyl)glycinamide
CID 1243288
N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-methyl-N~1~-[2-(methylthio)phenyl]glycinamide
CID 1291266
2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1293648
N-cyclopentyl-N~2~-(2-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 1318861
N-[2-(methylthio)phenyl]-2-[4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide
CID 2208758
N~2~-(4-methoxyphenyl)-N-[2-(phenylsulfanyl)ethyl]-N~2~-(phenylsulfonyl)glycinamide
CID 2283017

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide (CID 26719840) is (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(SC)c2)cc1.
What is the InChIKey of (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is DIUDVHGBTFDFCN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-25-15-8-10-17(11-9-15)27(23,24)21-12-4-7-18(21)19(22)20-14-5-3-6-16(13-14)26-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 26719840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).