(3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C21H21N3O2S2 — CID 8941004

IUPAC(3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NCc3ccc(-c4csc(C)n4)s3)CC2=O)cc1
InChIInChI=1S/C21H21N3O2S2/c1-13-3-5-16(6-4-13)24-11-15(9-20(24)25)21(26)22-10-17-7-8-19(28-17)18-12-27-14(2)23-18/h3-8,12,15H,9-11H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyVQCVCEUWFYYRPO-OAHLLOKOSA-N
MW411.55 g/mol
LogP4.16
Rot. Bonds5

About (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 8941004) has the molecular formula C21H21N3O2S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID8941004
Molecular FormulaC21H21N3O2S2
Molecular Weight411.55 g/mol
Exact Mass411.11
IUPAC Name(3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NCc3ccc(-c4csc(C)n4)s3)CC2=O)cc1
InChIInChI=1S/C21H21N3O2S2/c1-13-3-5-16(6-4-13)24-11-15(9-20(24)25)21(26)22-10-17-7-8-19(28-17)18-12-27-14(2)23-18/h3-8,12,15H,9-11H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyVQCVCEUWFYYRPO-OAHLLOKOSA-N
XLogP4.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-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

(3S)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 8941012
1-[(4-methylphenyl)methyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 17462351
(3R)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95086824
(3S)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95086825
1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108809814
1-(4-methylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46384839
(3R)-1-(1,3-benzodioxol-5-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 31965632
1-(4-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122352811
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 42477859
(3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124570513
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 8941004) is (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)NCc3ccc(-c4csc(C)n4)s3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VQCVCEUWFYYRPO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O2S2/c1-13-3-5-16(6-4-13)24-11-15(9-20(24)25)21(26)22-10-17-7-8-19(28-17)18-12-27-14(2)23-18/h3-8,12,15H,9-11H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8941004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).