3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide

C19H22N2O4S — CID 59428457

IUPAC3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(C3CCN(C(N)=O)C3)c(C)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-11-17(26(23,24)16-5-3-15(25-2)4-6-16)7-8-18(13)14-9-10-21(12-14)19(20)22/h3-8,11,14H,9-10,12H2,1-2H3,(H2,20,22)
InChIKeyVVQAHOUWOVFNJW-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.70
Rot. Bonds4

About 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide

3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 59428457) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID59428457
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(C3CCN(C(N)=O)C3)c(C)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-11-17(26(23,24)16-5-3-15(25-2)4-6-16)7-8-18(13)14-9-10-21(12-14)19(20)22/h3-8,11,14H,9-10,12H2,1-2H3,(H2,20,22)
InChIKeyVVQAHOUWOVFNJW-UHFFFAOYSA-N
XLogP2.70
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-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

tert-butyl 3-[4-(3-chlorophenyl)sulfonyl-2-methoxyphenyl]pyrrolidine-1-carboxylate
CID 66877481
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
3-[(4-methoxyphenyl)sulfonylamino]azetidine-1-carboxamide
CID 146023038
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 90930404
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90591701
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 119409417
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
tert-butyl 3-(2-chloro-5-methoxyphenyl)pyrrolidine-1-carboxylate
CID 169498413

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide (CID 59428457) is 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide is COc1ccc(S(=O)(=O)c2ccc(C3CCN(C(N)=O)C3)c(C)c2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is VVQAHOUWOVFNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-11-17(26(23,24)16-5-3-15(25-2)4-6-16)7-8-18(13)14-9-10-21(12-14)19(20)22/h3-8,11,14H,9-10,12H2,1-2H3,(H2,20,22).
What are the key properties of 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide?
3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)sulfonyl-2-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 59428457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).