2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide

C17H14ClNOS — CID 2824128

IUPAC2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide
SMILESCc1c(CC(=O)Nc2ccccc2)sc2ccc(Cl)cc12
InChIInChI=1S/C17H14ClNOS/c1-11-14-9-12(18)7-8-15(14)21-16(11)10-17(20)19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyFFVCGUQJGYVUMY-UHFFFAOYSA-N
MW315.82 g/mol
LogP5.04
Rot. Bonds3

About 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide

2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide (PubChem CID 2824128) has the molecular formula C17H14ClNOS and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide
PubChem CID2824128
Molecular FormulaC17H14ClNOS
Molecular Weight315.82 g/mol
Exact Mass315.05
IUPAC Name2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide
SMILESCc1c(CC(=O)Nc2ccccc2)sc2ccc(Cl)cc12
InChIInChI=1S/C17H14ClNOS/c1-11-14-9-12(18)7-8-15(14)21-16(11)10-17(20)19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyFFVCGUQJGYVUMY-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.82
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide (CID 2824128) is 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide is Cc1c(CC(=O)Nc2ccccc2)sc2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide?
The InChIKey is FFVCGUQJGYVUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c1-11-14-9-12(18)7-8-15(14)21-16(11)10-17(20)19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide?
2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide has a molecular weight of 315.82 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-phenylacetamide is sourced from PubChem (CID 2824128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).