(2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C20H20N4O4S — CID 55939052

IUPAC(2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C20H20N4O4S/c25-17-11-21-20(28)24(17)12-13-4-1-5-14(10-13)22-18(26)15-6-2-8-23(15)19(27)16-7-3-9-29-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2,(H,21,28)(H,22,26)/t15-/m0/s1
InChIKeyOEAQEMSJWSKFQL-HNNXBMFYSA-N
MW412.47 g/mol
LogP2.04
Rot. Bonds5

About (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 55939052) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID55939052
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name(2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C20H20N4O4S/c25-17-11-21-20(28)24(17)12-13-4-1-5-14(10-13)22-18(26)15-6-2-8-23(15)19(27)16-7-3-9-29-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2,(H,21,28)(H,22,26)/t15-/m0/s1
InChIKeyOEAQEMSJWSKFQL-HNNXBMFYSA-N
XLogP2.04
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-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

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51213620
N-[3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 112767377
methyl 3-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 9323125
N-(2,3-dihydro-1H-inden-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42908057
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 49169879
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24675292
(2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55943962
[2-(3-ethylanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 51504438
N-(3-fluoro-4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51159772
N-(3,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406462
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9114837

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 55939052) is (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is OEAQEMSJWSKFQL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c25-17-11-21-20(28)24(17)12-13-4-1-5-14(10-13)22-18(26)15-6-2-8-23(15)19(27)16-7-3-9-29-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2,(H,21,28)(H,22,26)/t15-/m0/s1.
What are the key properties of (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55939052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).