1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide

C19H22N2O4S — CID 651337

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-5-7-15(8-6-14)20-19(22)18-4-3-13-21(18)26(23,24)17-11-9-16(25-2)10-12-17/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyYJNGKQUKDHHAGY-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 651337) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID651337
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-5-7-15(8-6-14)20-19(22)18-4-3-13-21(18)26(23,24)17-11-9-16(25-2)10-12-17/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyYJNGKQUKDHHAGY-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Act-462206
CID 40924317
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-acetamide
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P1 Phenyl Ring, 26
CID 21025980
1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide
CID 9802180
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
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N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 24993853
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-propionamide
CID 23645536
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1359892
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
4-(2-{[1-(4-Butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzenesulfonamide
CID 2869088

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (CID 651337) is 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YJNGKQUKDHHAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-5-7-15(8-6-14)20-19(22)18-4-3-13-21(18)26(23,24)17-11-9-16(25-2)10-12-17/h5-12,18H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 651337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).