N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

C19H16N2O2S — CID 51300035

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C19H16N2O2S/c22-18(20-15-9-10-15)12-5-7-14(8-6-12)21-19(23)17-11-13-3-1-2-4-16(13)24-17/h1-8,11,15H,9-10H2,(H,20,22)(H,21,23)
InChIKeyMUQUJFIXUTUGJX-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.05
Rot. Bonds4

About N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 51300035) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID51300035
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C19H16N2O2S/c22-18(20-15-9-10-15)12-5-7-14(8-6-12)21-19(23)17-11-13-3-1-2-4-16(13)24-17/h1-8,11,15H,9-10H2,(H,20,22)(H,21,23)
InChIKeyMUQUJFIXUTUGJX-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23959898
5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18132739
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 509754
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 42022646
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 27990410
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 62900750
N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 43053059

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 51300035) is N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(NC1CC1)c1ccc(NC(=O)c2cc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is MUQUJFIXUTUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18(20-15-9-10-15)12-5-7-14(8-6-12)21-19(23)17-11-13-3-1-2-4-16(13)24-17/h1-8,11,15H,9-10H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51300035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).