(3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide

C19H17N3O3S — CID 92751992

IUPAC(3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc4[nH]c(=O)sc4c3)CC2=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-11-2-5-14(6-3-11)22-10-12(8-17(22)23)18(24)20-13-4-7-15-16(9-13)26-19(25)21-15/h2-7,9,12H,8,10H2,1H3,(H,20,24)(H,21,25)/t12-/m1/s1
InChIKeyRFGCRWDBSFKGDZ-GFCCVEGCSA-N
MW367.43 g/mol
LogP2.89
Rot. Bonds3

About (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide

(3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide (PubChem CID 92751992) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
PubChem CID92751992
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc4[nH]c(=O)sc4c3)CC2=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-11-2-5-14(6-3-11)22-10-12(8-17(22)23)18(24)20-13-4-7-15-16(9-13)26-19(25)21-15/h2-7,9,12H,8,10H2,1H3,(H,20,24)(H,21,25)/t12-/m1/s1
InChIKeyRFGCRWDBSFKGDZ-GFCCVEGCSA-N
XLogP2.89
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-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

(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
(3R)-N-(4-methyl-3-nitrophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39753290
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide (CID 92751992) is (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)Nc3ccc4[nH]c(=O)sc4c3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is RFGCRWDBSFKGDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-2-5-14(6-3-11)22-10-12(8-17(22)23)18(24)20-13-4-7-15-16(9-13)26-19(25)21-15/h2-7,9,12H,8,10H2,1H3,(H,20,24)(H,21,25)/t12-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide?
(3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92751992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).