5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C21H21N3O2S — CID 45205026

IUPAC5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2C(=O)c2ccc(Cn3cccc3)cc2)s1
InChIInChI=1S/C21H21N3O2S/c22-20(25)19-10-9-18(27-19)17-4-3-13-24(17)21(26)16-7-5-15(6-8-16)14-23-11-1-2-12-23/h1-2,5-12,17H,3-4,13-14H2,(H2,22,25)
InChIKeySQMUPZJMJZOKKY-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.67
Rot. Bonds5

About 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45205026) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45205026
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2C(=O)c2ccc(Cn3cccc3)cc2)s1
InChIInChI=1S/C21H21N3O2S/c22-20(25)19-10-9-18(27-19)17-4-3-13-24(17)21(26)16-7-5-15(6-8-16)14-23-11-1-2-12-23/h1-2,5-12,17H,3-4,13-14H2,(H2,22,25)
InChIKeySQMUPZJMJZOKKY-UHFFFAOYSA-N
XLogP3.67
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-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

5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45180406
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660
(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952989
5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30937109
5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45241409
5-[(2R)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136572
5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136573
5-[1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45216025
5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95120298
5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30956704
5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide
CID 45215784
5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45244350

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45205026) is 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is NC(=O)c1ccc(C2CCCN2C(=O)c2ccc(Cn3cccc3)cc2)s1.
What is the InChIKey of 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is SQMUPZJMJZOKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c22-20(25)19-10-9-18(27-19)17-4-3-13-24(17)21(26)16-7-5-15(6-8-16)14-23-11-1-2-12-23/h1-2,5-12,17H,3-4,13-14H2,(H2,22,25).
What are the key properties of 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45205026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).