(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide

C18H21N3O3S — CID 95239711

IUPAC(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)17-9-7-15(8-10-17)20-18(22)21-12-11-16(13-21)19-14-5-3-2-4-6-14/h2-10,16,19H,11-13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyCFQADQALKBYYGB-MRXNPFEDSA-N
MW359.45 g/mol
LogP2.81
Rot. Bonds4

About (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide

(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide (PubChem CID 95239711) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
PubChem CID95239711
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)17-9-7-15(8-10-17)20-18(22)21-12-11-16(13-21)19-14-5-3-2-4-6-14/h2-10,16,19H,11-13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyCFQADQALKBYYGB-MRXNPFEDSA-N
XLogP2.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 75400069
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
1-(3-anilinopyrrolidin-1-yl)-2-(4-tert-butylphenyl)ethane-1,2-dione
CID 56502423
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 110874414
4-anilino-N-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-1-carboxamide
CID 146128965
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
1-[4-[(3S)-3-anilinopyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 94808929
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325

Frequently Asked Questions

What is the IUPAC name of (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide (CID 95239711) is (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide is CS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is CFQADQALKBYYGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-25(23,24)17-9-7-15(8-10-17)20-18(22)21-12-11-16(13-21)19-14-5-3-2-4-6-14/h2-10,16,19H,11-13H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95239711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).