3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide

C20H18N2O2S — CID 51237736

IUPAC3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2N2CCCC2=O)sc2ccccc12
InChIInChI=1S/C20H18N2O2S/c1-13-14-7-2-5-10-17(14)25-19(13)20(24)21-15-8-3-4-9-16(15)22-12-6-11-18(22)23/h2-5,7-10H,6,11-12H2,1H3,(H,21,24)
InChIKeyKVOCJYOTVQMDOW-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.59
Rot. Bonds3

About 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide

3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 51237736) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID51237736
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2N2CCCC2=O)sc2ccccc12
InChIInChI=1S/C20H18N2O2S/c1-13-14-7-2-5-10-17(14)25-19(13)20(24)21-15-8-3-4-9-16(15)22-12-6-11-18(22)23/h2-5,7-10H,6,11-12H2,1H3,(H,21,24)
InChIKeyKVOCJYOTVQMDOW-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 51237518
N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 35915273
2-(furan-2-yl)-4,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18283714
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709787
2-methyl-5-methylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18166587
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
CID 39638037
2-(2-methoxyethylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112722629
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide (CID 51237736) is 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccccc2N2CCCC2=O)sc2ccccc12.
What is the InChIKey of 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is KVOCJYOTVQMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-13-14-7-2-5-10-17(14)25-19(13)20(24)21-15-8-3-4-9-16(15)22-12-6-11-18(22)23/h2-5,7-10H,6,11-12H2,1H3,(H,21,24).
What are the key properties of 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51237736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).