3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

C15H15ClN2OS — CID 115930522

IUPAC3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCCc3sccc32)c1Cl
InChIInChI=1S/C15H15ClN2OS/c16-14-10(3-1-4-11(14)17)15(19)18-12-5-2-6-13-9(12)7-8-20-13/h1,3-4,7-8,12H,2,5-6,17H2,(H,18,19)
InChIKeyXBCZIFAFGYWYNZ-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.79
Rot. Bonds2

About 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (PubChem CID 115930522) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
PubChem CID115930522
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCCc3sccc32)c1Cl
InChIInChI=1S/C15H15ClN2OS/c16-14-10(3-1-4-11(14)17)15(19)18-12-5-2-6-13-9(12)7-8-20-13/h1,3-4,7-8,12H,2,5-6,17H2,(H,18,19)
InChIKeyXBCZIFAFGYWYNZ-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.79
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

2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62842162
3-fluoro-2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843049
2-hydroxy-3-methoxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844241
5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62840249
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
2-(ethylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843224
2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-carboxamide
CID 62844798
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide
CID 62845505
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62841982
2,2,2-trichloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 13037002
2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844409

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (CID 115930522) is 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is Nc1cccc(C(=O)NC2CCCc3sccc32)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The InChIKey is XBCZIFAFGYWYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-14-10(3-1-4-11(14)17)15(19)18-12-5-2-6-13-9(12)7-8-20-13/h1,3-4,7-8,12H,2,5-6,17H2,(H,18,19).
What are the key properties of 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide has a molecular weight of 306.82 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is sourced from PubChem (CID 115930522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).