N-(4-aminophenyl)-1-benzothiophene-3-carboxamide

C15H12N2OS — CID 55012552

IUPACN-(4-aminophenyl)-1-benzothiophene-3-carboxamide
SMILESNc1ccc(NC(=O)c2csc3ccccc23)cc1
InChIInChI=1S/C15H12N2OS/c16-10-5-7-11(8-6-10)17-15(18)13-9-19-14-4-2-1-3-12(13)14/h1-9H,16H2,(H,17,18)
InChIKeyTVOAZJHWGZKWMY-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.74
Rot. Bonds2

About N-(4-aminophenyl)-1-benzothiophene-3-carboxamide

N-(4-aminophenyl)-1-benzothiophene-3-carboxamide (PubChem CID 55012552) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-1-benzothiophene-3-carboxamide
PubChem CID55012552
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(4-aminophenyl)-1-benzothiophene-3-carboxamide
SMILESNc1ccc(NC(=O)c2csc3ccccc23)cc1
InChIInChI=1S/C15H12N2OS/c16-10-5-7-11(8-6-10)17-15(18)13-9-19-14-4-2-1-3-12(13)14/h1-9H,16H2,(H,17,18)
InChIKeyTVOAZJHWGZKWMY-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-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
CID 60704804
N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide
CID 1247057
N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide
CID 2971227
N-(4-chloro-3-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 112805668
N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide
CID 103745253
N-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-3-carboxamide
CID 82726518
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
CID 17374715
N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 6468576
N-[2-(chloromethyl)phenyl]-1-benzothiophene-3-carboxamide
CID 114298566
N-(4-aminophenyl)-2-selanylbenzamide
CID 137348544
3-(1-benzothiophene-3-carbonylamino)pyrazine-2-carboxylic acid
CID 63261799

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(4-aminophenyl)-1-benzothiophene-3-carboxamide (CID 55012552) is N-(4-aminophenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-1-benzothiophene-3-carboxamide is Nc1ccc(NC(=O)c2csc3ccccc23)cc1.
What is the InChIKey of N-(4-aminophenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is TVOAZJHWGZKWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-10-5-7-11(8-6-10)17-15(18)13-9-19-14-4-2-1-3-12(13)14/h1-9H,16H2,(H,17,18).
What are the key properties of N-(4-aminophenyl)-1-benzothiophene-3-carboxamide?
N-(4-aminophenyl)-1-benzothiophene-3-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-3-carboxamide is sourced from PubChem (CID 55012552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).