N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H14N2OS — CID 79207464

IUPACN-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C15H14N2OS/c16-11-6-2-3-7-12(11)17-15(18)14-9-10-5-1-4-8-13(10)19-14/h1-8,14H,9,16H2,(H,17,18)
InChIKeyQXKHLXMGQVTBGX-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.92
Rot. Bonds2

About N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 79207464) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID79207464
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C15H14N2OS/c16-11-6-2-3-7-12(11)17-15(18)14-9-10-5-1-4-8-13(10)19-14/h1-8,14H,9,16H2,(H,17,18)
InChIKeyQXKHLXMGQVTBGX-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51489865
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592552
N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310218
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723306
(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 34188852
N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103909801
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310799
N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24603962

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 79207464) is N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is Nc1ccccc1NC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is QXKHLXMGQVTBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-11-6-2-3-7-12(11)17-15(18)14-9-10-5-1-4-8-13(10)19-14/h1-8,14H,9,16H2,(H,17,18).
What are the key properties of N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79207464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).