N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide

C17H24N2O3S — CID 40588524

IUPACN-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSCC(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3S/c1-22-15-10-6-5-9-14(15)19-17(21)12-23-11-16(20)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyMZMBNJVIYZHVCV-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.82
Rot. Bonds7

About N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide

N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 40588524) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID40588524
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSCC(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3S/c1-22-15-10-6-5-9-14(15)19-17(21)12-23-11-16(20)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyMZMBNJVIYZHVCV-UHFFFAOYSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9169067
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-[[5-(cyclohexylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7385289
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
N-cycloheptyl-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4809666
N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide
CID 82182065
2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid
CID 82033021

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide (CID 40588524) is N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide is COc1ccccc1NC(=O)CSCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is MZMBNJVIYZHVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-22-15-10-6-5-9-14(15)19-17(21)12-23-11-16(20)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 336.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 40588524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).