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

C23H24ClNOS — CID 44589707

IUPACN-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide
SMILESO=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C23H24ClNOS/c24-18-12-10-17(11-13-18)14-15-25(19-6-2-1-3-7-19)23(26)21-16-27-22-9-5-4-8-20(21)22/h4-5,8-13,16,19H,1-3,6-7,14-15H2
InChIKeyVNRUWTLGILRVDN-UHFFFAOYSA-N
MW397.97 g/mol
LogP6.57
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide (PubChem CID 44589707) has the molecular formula C23H24ClNOS and a molecular weight of 397.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide
PubChem CID44589707
Molecular FormulaC23H24ClNOS
Molecular Weight397.97 g/mol
Exact Mass397.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide
SMILESO=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C23H24ClNOS/c24-18-12-10-17(11-13-18)14-15-25(19-6-2-1-3-7-19)23(26)21-16-27-22-9-5-4-8-20(21)22/h4-5,8-13,16,19H,1-3,6-7,14-15H2
InChIKeyVNRUWTLGILRVDN-UHFFFAOYSA-N
XLogP6.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.97
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide (CID 44589707) is N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide is O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide?
The InChIKey is VNRUWTLGILRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNOS/c24-18-12-10-17(11-13-18)14-15-25(19-6-2-1-3-7-19)23(26)21-16-27-22-9-5-4-8-20(21)22/h4-5,8-13,16,19H,1-3,6-7,14-15H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide has a molecular weight of 397.97 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 44589707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).