N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide

C17H23ClN2O2S — CID 4798359

IUPACN-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCN(C(=O)CSCC(=O)Nc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O2S/c1-20(15-5-3-2-4-6-15)17(22)12-23-11-16(21)19-14-9-7-13(18)8-10-14/h7-10,15H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyXXZQMZRZOAYQKX-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.80
Rot. Bonds6

About N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide

N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 4798359) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID4798359
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC NameN-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCN(C(=O)CSCC(=O)Nc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O2S/c1-20(15-5-3-2-4-6-15)17(22)12-23-11-16(21)19-14-9-7-13(18)8-10-14/h7-10,15H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyXXZQMZRZOAYQKX-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide (CID 4798359) is N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide is CN(C(=O)CSCC(=O)Nc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is XXZQMZRZOAYQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2S/c1-20(15-5-3-2-4-6-15)17(22)12-23-11-16(21)19-14-9-7-13(18)8-10-14/h7-10,15H,2-6,11-12H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 354.90 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 4798359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).