1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide

C22H24ClNO2S — CID 100781332

IUPAC1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C22H24ClNO2S/c23-17-6-4-16(5-7-17)22(12-2-1-3-13-22)21(25)24-18-8-10-19(11-9-18)26-20-14-27-15-20/h4-11,20H,1-3,12-15H2,(H,24,25)
InChIKeyGVEBFDRHTIYGAR-UHFFFAOYSA-N
MW401.96 g/mol
LogP5.67
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide

1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 100781332) has the molecular formula C22H24ClNO2S and a molecular weight of 401.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
PubChem CID100781332
Molecular FormulaC22H24ClNO2S
Molecular Weight401.96 g/mol
Exact Mass401.12
IUPAC Name1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C22H24ClNO2S/c23-17-6-4-16(5-7-17)22(12-2-1-3-13-22)21(25)24-18-8-10-19(11-9-18)26-20-14-27-15-20/h4-11,20H,1-3,12-15H2,(H,24,25)
InChIKeyGVEBFDRHTIYGAR-UHFFFAOYSA-N
XLogP5.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.96
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]oxane-4-carboxamide
CID 100781359
1-phenyl-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781195
4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide
CID 100685329
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-[4-(thietan-3-yloxy)phenyl]cyclobutane-1-carboxylic acid
CID 117415527
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779251
1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 133188306
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
CID 100780604
1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100665537

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide (CID 100781332) is 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide is O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is GVEBFDRHTIYGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2S/c23-17-6-4-16(5-7-17)22(12-2-1-3-13-22)21(25)24-18-8-10-19(11-9-18)26-20-14-27-15-20/h4-11,20H,1-3,12-15H2,(H,24,25).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide?
1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 401.96 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100781332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).