N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide

C24H20ClN3O2S — CID 68698793

IUPACN-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1
InChIInChI=1S/C24H20ClN3O2S/c1-14(27-23(29)15-8-10-18(25)11-9-15)16-6-7-17-13-22(31-21(17)12-16)24(30)28-20-5-3-2-4-19(20)26/h2-14H,26H2,1H3,(H,27,29)(H,28,30)
InChIKeyNRYXAFZYTACMCN-UHFFFAOYSA-N
MW449.96 g/mol
LogP5.88
Rot. Bonds5

About N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide

N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 68698793) has the molecular formula C24H20ClN3O2S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
PubChem CID68698793
Molecular FormulaC24H20ClN3O2S
Molecular Weight449.96 g/mol
Exact Mass449.10
IUPAC NameN-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1
InChIInChI=1S/C24H20ClN3O2S/c1-14(27-23(29)15-8-10-18(25)11-9-15)16-6-7-17-13-22(31-21(17)12-16)24(30)28-20-5-3-2-4-19(20)26/h2-14H,26H2,1H3,(H,27,29)(H,28,30)
InChIKeyNRYXAFZYTACMCN-UHFFFAOYSA-N
XLogP5.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-6-[1-benzamido-2-(4-methoxyanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 11960262
N-(2-aminophenyl)-6-[1-(1H-indol-3-ylmethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 11961249
N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 42906351
N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 146088412
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 90876175
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide (CID 68698793) is N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide is CC(NC(=O)c1ccc(Cl)cc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1.
What is the InChIKey of N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NRYXAFZYTACMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2S/c1-14(27-23(29)15-8-10-18(25)11-9-15)16-6-7-17-13-22(31-21(17)12-16)24(30)28-20-5-3-2-4-19(20)26/h2-14H,26H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 5.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[1-[(4-chlorobenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 68698793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).