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

C16H16N2OS — CID 79213509

IUPACN-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCN(C(=O)C1CSc2ccccc21)c1ccccc1N
InChIInChI=1S/C16H16N2OS/c1-18(14-8-4-3-7-13(14)17)16(19)12-10-20-15-9-5-2-6-11(12)15/h2-9,12H,10,17H2,1H3
InChIKeyVTBUYAJLNDSMCZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.12
Rot. Bonds2

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

N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 79213509) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID79213509
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCN(C(=O)C1CSc2ccccc21)c1ccccc1N
InChIInChI=1S/C16H16N2OS/c1-18(14-8-4-3-7-13(14)17)16(19)12-10-20-15-9-5-2-6-11(12)15/h2-9,12H,10,17H2,1H3
InChIKeyVTBUYAJLNDSMCZ-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213070
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119584220
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214145
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213245
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211877
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212817
N-(3-amino-2-methylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213650
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211884
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 79213509) is N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide is CN(C(=O)C1CSc2ccccc21)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is VTBUYAJLNDSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-18(14-8-4-3-7-13(14)17)16(19)12-10-20-15-9-5-2-6-11(12)15/h2-9,12H,10,17H2,1H3.
What are the key properties of N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 79213509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).