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

C17H18N2O2S — CID 71839161

IUPAC5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)c3ccc(C)s3)C2=O)cc1
InChIInChI=1S/C17H18N2O2S/c1-11-3-6-13(7-4-11)19-10-9-14(17(19)21)18-16(20)15-8-5-12(2)22-15/h3-8,14H,9-10H2,1-2H3,(H,18,20)
InChIKeyQJQVJTSACKUAMH-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.90
Rot. Bonds3

About 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide

5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 71839161) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID71839161
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)c3ccc(C)s3)C2=O)cc1
InChIInChI=1S/C17H18N2O2S/c1-11-3-6-13(7-4-11)19-10-9-14(17(19)21)18-16(20)15-8-5-12(2)22-15/h3-8,14H,9-10H2,1-2H3,(H,18,20)
InChIKeyQJQVJTSACKUAMH-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide (CID 71839161) is 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide is Cc1ccc(N2CCC(NC(=O)c3ccc(C)s3)C2=O)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is QJQVJTSACKUAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-3-6-13(7-4-11)19-10-9-14(17(19)21)18-16(20)15-8-5-12(2)22-15/h3-8,14H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71839161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).