2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide

C14H14N2O2S — CID 11380311

IUPAC2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide
SMILESCc1ccc2c(C(N)=O)c(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C14H14N2O2S/c1-7-2-5-9-10(6-7)19-14(11(9)12(15)17)16-13(18)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,15,17)(H,16,18)
InChIKeySZUVTJHAJRXANL-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.66
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide

2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide (PubChem CID 11380311) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide
PubChem CID11380311
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide
SMILESCc1ccc2c(C(N)=O)c(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C14H14N2O2S/c1-7-2-5-9-10(6-7)19-14(11(9)12(15)17)16-13(18)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,15,17)(H,16,18)
InChIKeySZUVTJHAJRXANL-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
CID 59014232
2-[(4-bromophenyl)carbamoylamino]-6-methyl-1-benzothiophene-3-carboxamide
CID 11281142
7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11233555
6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide
CID 11210016
ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate
CID 5201131
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55334164
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
diiodovanadium;ethyl 2-amino-1-benzothiophene-3-carboxylate;ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate;iodomethane
CID 157395462
1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
CID 56501029
6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride
CID 69450421
2-(cyclopropanecarbonylamino)-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 59014280

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide (CID 11380311) is 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide is Cc1ccc2c(C(N)=O)c(NC(=O)C3CC3)sc2c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is SZUVTJHAJRXANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-7-2-5-9-10(6-7)19-14(11(9)12(15)17)16-13(18)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide?
2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 274.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11380311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).