N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

C19H22ClNOS — CID 42435753

IUPACN-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2cccs2)CCCCC1
InChIInChI=1S/C19H22ClNOS/c20-16-8-6-15(7-9-16)10-13-21-18(22)19(11-2-1-3-12-19)17-5-4-14-23-17/h4-9,14H,1-3,10-13H2,(H,21,22)
InChIKeyUIPFYQCEOYCVIH-UHFFFAOYSA-N
MW347.91 g/mol
LogP4.96
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide (PubChem CID 42435753) has the molecular formula C19H22ClNOS and a molecular weight of 347.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
PubChem CID42435753
Molecular FormulaC19H22ClNOS
Molecular Weight347.91 g/mol
Exact Mass347.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2cccs2)CCCCC1
InChIInChI=1S/C19H22ClNOS/c20-16-8-6-15(7-9-16)10-13-21-18(22)19(11-2-1-3-12-19)17-5-4-14-23-17/h4-9,14H,1-3,10-13H2,(H,21,22)
InChIKeyUIPFYQCEOYCVIH-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide (CID 42435753) is N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1(c2cccs2)CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The InChIKey is UIPFYQCEOYCVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNOS/c20-16-8-6-15(7-9-16)10-13-21-18(22)19(11-2-1-3-12-19)17-5-4-14-23-17/h4-9,14H,1-3,10-13H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide has a molecular weight of 347.91 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 42435753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).