N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

C17H24N2O2S — CID 733615

IUPACN-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2S/c1-13-7-9-15(10-8-13)19-17(21)12-22-11-16(20)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyATRNSPVOGOKYFJ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.12
Rot. Bonds6

About N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 733615) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID733615
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2S/c1-13-7-9-15(10-8-13)19-17(21)12-22-11-16(20)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyATRNSPVOGOKYFJ-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 733615) is N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is ATRNSPVOGOKYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-13-7-9-15(10-8-13)19-17(21)12-22-11-16(20)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 320.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 733615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).