N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide

C21H18N2O2S — CID 26958545

IUPACN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1sccc1-c1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-19-7-4-13-23(19)17-10-8-16(9-11-17)22-21(25)20-18(12-14-26-20)15-5-2-1-3-6-15/h1-3,5-6,8-12,14H,4,7,13H2,(H,22,25)
InChIKeyWPWSXEHRVPEZHO-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.79
Rot. Bonds4

About N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide (PubChem CID 26958545) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
PubChem CID26958545
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1sccc1-c1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-19-7-4-13-23(19)17-10-8-16(9-11-17)22-21(25)20-18(12-14-26-20)15-5-2-1-3-6-15/h1-3,5-6,8-12,14H,4,7,13H2,(H,22,25)
InChIKeyWPWSXEHRVPEZHO-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 27677053
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 26955894
N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 17444618
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(thiophene-2-carbonyl)benzamide
CID 38715443
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9265979
9-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]fluorene-2-carboxamide
CID 24618194
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide (CID 26958545) is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide is O=C(Nc1ccc(N2CCCC2=O)cc1)c1sccc1-c1ccccc1.
What is the InChIKey of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is WPWSXEHRVPEZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-19-7-4-13-23(19)17-10-8-16(9-11-17)22-21(25)20-18(12-14-26-20)15-5-2-1-3-6-15/h1-3,5-6,8-12,14H,4,7,13H2,(H,22,25).
What are the key properties of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide?
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 26958545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).