5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide

C15H12ClN3OS — CID 107196129

IUPAC5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccc2sccc2c1
InChIInChI=1S/C15H12ClN3OS/c16-12-7-9(17)6-11(15(18)20)14(12)19-10-1-2-13-8(5-10)3-4-21-13/h1-7,19H,17H2,(H2,18,20)
InChIKeyOLPFVABLYGDFNQ-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.98
Rot. Bonds3

About 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide

5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide (PubChem CID 107196129) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide.

Molecular Properties

Compound Name5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide
PubChem CID107196129
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccc2sccc2c1
InChIInChI=1S/C15H12ClN3OS/c16-12-7-9(17)6-11(15(18)20)14(12)19-10-1-2-13-8(5-10)3-4-21-13/h1-7,19H,17H2,(H2,18,20)
InChIKeyOLPFVABLYGDFNQ-UHFFFAOYSA-N
XLogP3.98
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.98
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

5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
CID 107185377
5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide
CID 107589721
2-amino-4-(1-benzothiophen-5-ylamino)benzoic acid
CID 104500715
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
CID 107196343
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine
CID 65476209
6-(1-benzothiophen-5-ylamino)pyridazine-3-carboxylic acid
CID 65450510
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide?
The IUPAC name of 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide (CID 107196129) is 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide.
What is the SMILES notation for 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide?
The canonical SMILES for 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide is NC(=O)c1cc(N)cc(Cl)c1Nc1ccc2sccc2c1.
What is the InChIKey of 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide?
The InChIKey is OLPFVABLYGDFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-12-7-9(17)6-11(15(18)20)14(12)19-10-1-2-13-8(5-10)3-4-21-13/h1-7,19H,17H2,(H2,18,20).
What are the key properties of 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide?
5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide has a molecular weight of 317.80 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide is sourced from PubChem (CID 107196129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).