3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide

C15H20ClNOS — CID 875307

IUPAC3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H20ClNOS/c16-12-6-8-14(9-7-12)19-11-10-15(18)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,17,18)
InChIKeyYRVRJCSRJSGSQB-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.27
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide

3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide (PubChem CID 875307) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide
PubChem CID875307
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H20ClNOS/c16-12-6-8-14(9-7-12)19-11-10-15(18)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,17,18)
InChIKeyYRVRJCSRJSGSQB-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide (CID 875307) is 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide is O=C(CCSc1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide?
The InChIKey is YRVRJCSRJSGSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c16-12-6-8-14(9-7-12)19-11-10-15(18)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide?
3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide has a molecular weight of 297.85 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-cyclohexylpropanamide is sourced from PubChem (CID 875307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).