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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Related Compounds

2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
CID 67581521
N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide
CID 90955606
2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170601
6-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]amino]hexanoic acid
CID 120522433
5-chloro-3-[(sulfinatoamino)methyl]-1-benzothiophene
CID 68982831
2-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-2-oxoethoxy]acetic acid
CID 2811466
2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide
CID 90844313
(4-cyclopentylphenyl)urea
CID 130193151
2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 10163831
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide
CID 10256047

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).