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

C22H20N2O2S — CID 27677053

IUPAC3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H20N2O2S/c1-15-4-6-16(7-5-15)19-12-14-27-21(19)22(26)23-17-8-10-18(11-9-17)24-13-2-3-20(24)25/h4-12,14H,2-3,13H2,1H3,(H,23,26)
InChIKeyOQCYSPJHFIZUHF-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.10
Rot. Bonds4

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

3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 27677053) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID27677053
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H20N2O2S/c1-15-4-6-16(7-5-15)19-12-14-27-21(19)22(26)23-17-8-10-18(11-9-17)24-13-2-3-20(24)25/h4-12,14H,2-3,13H2,1H3,(H,23,26)
InChIKeyOQCYSPJHFIZUHF-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 26958545
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 26955894
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18276754
2-N-(4-methylphenyl)-3-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazine-2,3-dicarboxamide
CID 11509899
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
2-amino-2-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120666734
4-methyl-N-[(Z)-3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100693806
3,5-dimethoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686372

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide (CID 27677053) is 3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is OQCYSPJHFIZUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15-4-6-16(7-5-15)19-12-14-27-21(19)22(26)23-17-8-10-18(11-9-17)24-13-2-3-20(24)25/h4-12,14H,2-3,13H2,1H3,(H,23,26).
What are the key properties of 3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27677053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).