N-(4-aminophenyl)-1-benzothiophene-2-carboxamide

C15H12N2OS — CID 22612941

IUPACN-(4-aminophenyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc(NC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C15H12N2OS/c16-11-5-7-12(8-6-11)17-15(18)14-9-10-3-1-2-4-13(10)19-14/h1-9H,16H2,(H,17,18)
InChIKeyXJBSQSIWKXONKY-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.74
Rot. Bonds2

About N-(4-aminophenyl)-1-benzothiophene-2-carboxamide

N-(4-aminophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 22612941) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-1-benzothiophene-2-carboxamide
PubChem CID22612941
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(4-aminophenyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc(NC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C15H12N2OS/c16-11-5-7-12(8-6-11)17-15(18)14-9-10-3-1-2-4-13(10)19-14/h1-9H,16H2,(H,17,18)
InChIKeyXJBSQSIWKXONKY-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 62900750
N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 42022646
N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 27990410
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 51300035
N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 79513540
methyl 5-[(5-amino-1-benzothiophene-2-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 155017798
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-(2-amino-6-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 62085161
N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 42091036
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55379359

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-1-benzothiophene-2-carboxamide (CID 22612941) is N-(4-aminophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-1-benzothiophene-2-carboxamide is Nc1ccc(NC(=O)c2cc3ccccc3s2)cc1.
What is the InChIKey of N-(4-aminophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XJBSQSIWKXONKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-11-5-7-12(8-6-11)17-15(18)14-9-10-3-1-2-4-13(10)19-14/h1-9H,16H2,(H,17,18).
What are the key properties of N-(4-aminophenyl)-1-benzothiophene-2-carboxamide?
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 22612941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).