N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide

C23H24ClNO2S — CID 44589669

IUPACN-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide
SMILESO=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC(O)CC1
InChIInChI=1S/C23H24ClNO2S/c24-17-7-5-16(6-8-17)13-14-25(18-9-11-19(26)12-10-18)23(27)21-15-28-22-4-2-1-3-20(21)22/h1-8,15,18-19,26H,9-14H2
InChIKeyUGCSUMOERDQTPT-UHFFFAOYSA-N
MW413.97 g/mol
LogP5.54
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide (PubChem CID 44589669) has the molecular formula C23H24ClNO2S and a molecular weight of 413.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide
PubChem CID44589669
Molecular FormulaC23H24ClNO2S
Molecular Weight413.97 g/mol
Exact Mass413.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide
SMILESO=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC(O)CC1
InChIInChI=1S/C23H24ClNO2S/c24-17-7-5-16(6-8-17)13-14-25(18-9-11-19(26)12-10-18)23(27)21-15-28-22-4-2-1-3-20(21)22/h1-8,15,18-19,26H,9-14H2
InChIKeyUGCSUMOERDQTPT-UHFFFAOYSA-N
XLogP5.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.97
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[1-benzothiophene-3-carbonyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-3-(4-chlorophenyl)propanoate
CID 44581482
N-[1-(4-chlorophenyl)-3-methoxypropan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-benzothiophene-3-carboxamide
CID 44581545
N-[1-(4-chlorophenyl)-3-oxobutan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-benzothiophene-3-carboxamide
CID 44581546
N-(4-chlorophenethyl)-N-(1-(2-(2,4-difluorophenyl)acetyl)piperidin-4-yl)benzo[b]thiophene-3-carboxamide
CID 44589630
N-(4-chlorophenethyl)-N-(1-(2,4-difluorophenethyl)piperidin-4-yl)benzo[b]thiophene-3-carboxamide
CID 44589666
N-(4-chlorophenethyl)-N-(4-oxocyclohexyl)benzo[b]thiophene-3-carboxamide
CID 44589668
N-(4-chlorophenethyl)-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzo[b]thiophene-3-carboxamide
CID 44589704
N-(4-chlorophenethyl)-N-cyclohexylbenzo[b]thiophene-3-carboxamide
CID 44589707
N-benzyl-N-(4-chlorophenethyl)benzo[b]thiophene-3-carboxamide
CID 44589742
cis-N-(4-chlorophenethyl)-N-(1-oxaspiro[4.5]decan-8-yl)benzo[b]thiophene-3-carboxamide
CID 44589743
N-(2-chlorophenethyl)-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzo[b]thiophene-3-carboxamide
CID 44589864
N-(2-(4-chlorophenyl)propyl)-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzo[b]thiophene-3-carboxamide
CID 44589865

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide (CID 44589669) is N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide is O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC(O)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide?
The InChIKey is UGCSUMOERDQTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2S/c24-17-7-5-16(6-8-17)13-14-25(18-9-11-19(26)12-10-18)23(27)21-15-28-22-4-2-1-3-20(21)22/h1-8,15,18-19,26H,9-14H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide has a molecular weight of 413.97 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 44589669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).