2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide

C22H22ClNOS — CID 142027494

IUPAC2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide
SMILESO=C(Cc1csc2ccc(Cl)cc12)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H22ClNOS/c23-18-8-11-21-20(13-18)17(14-26-21)12-22(25)24-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h6-11,13-15H,1-5,12H2,(H,24,25)
InChIKeyFAAYVMDSMGSHLR-UHFFFAOYSA-N
MW383.94 g/mol
LogP6.78
Rot. Bonds4

About 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide

2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide (PubChem CID 142027494) has the molecular formula C22H22ClNOS and a molecular weight of 383.94 g/mol. Its IUPAC name is 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide
PubChem CID142027494
Molecular FormulaC22H22ClNOS
Molecular Weight383.94 g/mol
Exact Mass383.11
IUPAC Name2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide
SMILESO=C(Cc1csc2ccc(Cl)cc12)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H22ClNOS/c23-18-8-11-21-20(13-18)17(14-26-21)12-22(25)24-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h6-11,13-15H,1-5,12H2,(H,24,25)
InChIKeyFAAYVMDSMGSHLR-UHFFFAOYSA-N
XLogP6.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.94
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide (CID 142027494) is 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide is O=C(Cc1csc2ccc(Cl)cc12)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide?
The InChIKey is FAAYVMDSMGSHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNOS/c23-18-8-11-21-20(13-18)17(14-26-21)12-22(25)24-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h6-11,13-15H,1-5,12H2,(H,24,25).
What are the key properties of 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide?
2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide has a molecular weight of 383.94 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide is sourced from PubChem (CID 142027494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).