(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C21H24N2O3S — CID 124726712

IUPAC(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O3S/c1-15-8-11-17(12-9-15)27(25,26)23-14-4-7-20(23)21(24)22-19-13-10-16-5-2-3-6-18(16)19/h2-3,5-6,8-9,11-12,19-20H,4,7,10,13-14H2,1H3,(H,22,24)/t19-,20+/m0/s1
InChIKeyCIWVVJNFWZIZIB-VQTJNVASSA-N
MW384.50 g/mol
LogP2.95
Rot. Bonds4

About (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 124726712) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID124726712
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O3S/c1-15-8-11-17(12-9-15)27(25,26)23-14-4-7-20(23)21(24)22-19-13-10-16-5-2-3-6-18(16)19/h2-3,5-6,8-9,11-12,19-20H,4,7,10,13-14H2,1H3,(H,22,24)/t19-,20+/m0/s1
InChIKeyCIWVVJNFWZIZIB-VQTJNVASSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-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

(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55929659
(2S)-N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55941997
4-(benzenesulfonyl)-1-N-(4-methylphenyl)-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
CID 134085085
(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 41139395
(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 95277885
1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 51240613
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
CID 143912781
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 18510639
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 124726712) is (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCc3ccccc32)cc1.
What is the InChIKey of (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is CIWVVJNFWZIZIB-VQTJNVASSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-8-11-17(12-9-15)27(25,26)23-14-4-7-20(23)21(24)22-19-13-10-16-5-2-3-6-18(16)19/h2-3,5-6,8-9,11-12,19-20H,4,7,10,13-14H2,1H3,(H,22,24)/t19-,20+/m0/s1.
What are the key properties of (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124726712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).