5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide

C15H14BrClN2OS — CID 82686883

IUPAC5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide
SMILESNC(=O)c1cc(NC2CCCc3sc(Br)cc32)ccc1Cl
InChIInChI=1S/C15H14BrClN2OS/c16-14-7-10-12(2-1-3-13(10)21-14)19-8-4-5-11(17)9(6-8)15(18)20/h4-7,12,19H,1-3H2,(H2,18,20)
InChIKeyLYMPXXNYGDTHEK-UHFFFAOYSA-N
MW385.71 g/mol
LogP4.75
Rot. Bonds3

About 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide

5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide (PubChem CID 82686883) has the molecular formula C15H14BrClN2OS and a molecular weight of 385.71 g/mol. Its IUPAC name is 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide
PubChem CID82686883
Molecular FormulaC15H14BrClN2OS
Molecular Weight385.71 g/mol
Exact Mass383.97
IUPAC Name5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide
SMILESNC(=O)c1cc(NC2CCCc3sc(Br)cc32)ccc1Cl
InChIInChI=1S/C15H14BrClN2OS/c16-14-7-10-12(2-1-3-13(10)21-14)19-8-4-5-11(17)9(6-8)15(18)20/h4-7,12,19H,1-3H2,(H2,18,20)
InChIKeyLYMPXXNYGDTHEK-UHFFFAOYSA-N
XLogP4.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide?
The IUPAC name of 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide (CID 82686883) is 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide.
What is the SMILES notation for 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide?
The canonical SMILES for 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide is NC(=O)c1cc(NC2CCCc3sc(Br)cc32)ccc1Cl.
What is the InChIKey of 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide?
The InChIKey is LYMPXXNYGDTHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2OS/c16-14-7-10-12(2-1-3-13(10)21-14)19-8-4-5-11(17)9(6-8)15(18)20/h4-7,12,19H,1-3H2,(H2,18,20).
What are the key properties of 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide?
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide has a molecular weight of 385.71 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide is sourced from PubChem (CID 82686883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).