1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C23H28N2O3S — CID 55389303

IUPAC1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)N(Cc3cccs3)CC3CCCO3)CC2=O)c1C
InChIInChI=1S/C23H28N2O3S/c1-16-6-3-9-21(17(16)2)25-13-18(12-22(25)26)23(27)24(14-19-7-4-10-28-19)15-20-8-5-11-29-20/h3,5-6,8-9,11,18-19H,4,7,10,12-15H2,1-2H3
InChIKeyNCRRYDQAGMBNNF-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.93
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 55389303) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID55389303
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)N(Cc3cccs3)CC3CCCO3)CC2=O)c1C
InChIInChI=1S/C23H28N2O3S/c1-16-6-3-9-21(17(16)2)25-13-18(12-22(25)26)23(27)24(14-19-7-4-10-28-19)15-20-8-5-11-29-20/h3,5-6,8-9,11,18-19H,4,7,10,12-15H2,1-2H3
InChIKeyNCRRYDQAGMBNNF-UHFFFAOYSA-N
XLogP3.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)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

1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55556697
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55595482
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94641042
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 134041333
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55358498
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 55389303) is 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)N(Cc3cccs3)CC3CCCO3)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NCRRYDQAGMBNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-16-6-3-9-21(17(16)2)25-13-18(12-22(25)26)23(27)24(14-19-7-4-10-28-19)15-20-8-5-11-29-20/h3,5-6,8-9,11,18-19H,4,7,10,12-15H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55389303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).