N-cyclohexyl-2-phenylsulfanylacetamide

C14H19NOS — CID 875390

IUPACN-cyclohexyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1CCCCC1
InChIInChI=1S/C14H19NOS/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)
InChIKeyIOZQXKIDAGBIQL-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.23
Rot. Bonds4

About N-cyclohexyl-2-phenylsulfanylacetamide

N-cyclohexyl-2-phenylsulfanylacetamide (PubChem CID 875390) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-cyclohexyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-phenylsulfanylacetamide
PubChem CID875390
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-cyclohexyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1CCCCC1
InChIInChI=1S/C14H19NOS/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)
InChIKeyIOZQXKIDAGBIQL-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenylsulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-phenylsulfanylacetamide (CID 875390) is N-cyclohexyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-phenylsulfanylacetamide?
The InChIKey is IOZQXKIDAGBIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16).
What are the key properties of N-cyclohexyl-2-phenylsulfanylacetamide?
N-cyclohexyl-2-phenylsulfanylacetamide has a molecular weight of 249.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 875390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).