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

C16H23ClN2O2S — CID 119641139

IUPACN-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
SMILESCCC(N)(CC)CNC(=O)CSCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2S/c1-3-16(18,4-2)11-19-15(21)10-22-9-14(20)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,21)
InChIKeyCTVHRRFEYIOMBF-UHFFFAOYSA-N
MW342.89 g/mol
LogP2.89
Rot. Bonds9

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

N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide (PubChem CID 119641139) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
PubChem CID119641139
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
SMILESCCC(N)(CC)CNC(=O)CSCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2S/c1-3-16(18,4-2)11-19-15(21)10-22-9-14(20)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,21)
InChIKeyCTVHRRFEYIOMBF-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119033350
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119642531
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119998327
N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide
CID 119626774
ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 14923350
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 119642205
N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119641198
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119586595

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide (CID 119641139) is N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide is CCC(N)(CC)CNC(=O)CSCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide?
The InChIKey is CTVHRRFEYIOMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c1-3-16(18,4-2)11-19-15(21)10-22-9-14(20)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide?
N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide has a molecular weight of 342.89 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 119641139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).