N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide

C14H19ClN2O2S — CID 119998327

IUPACN-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
SMILESCC(CN)CNC(=O)CSCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c1-10(6-16)7-17-14(19)9-20-8-13(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyOKQANPLWHWZWFN-UHFFFAOYSA-N
MW314.84 g/mol
LogP1.97
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide

N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide (PubChem CID 119998327) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
PubChem CID119998327
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC NameN-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
SMILESCC(CN)CNC(=O)CSCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c1-10(6-16)7-17-14(19)9-20-8-13(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyOKQANPLWHWZWFN-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119586595
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
N-(2-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119033350
N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119641139
N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 119997682
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
CID 120832661
4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447249
ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 14923350
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 119995339
N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
CID 119997393
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide
CID 119996737

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide (CID 119998327) is N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide is CC(CN)CNC(=O)CSCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide?
The InChIKey is OKQANPLWHWZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-10(6-16)7-17-14(19)9-20-8-13(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9,16H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide?
N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide has a molecular weight of 314.84 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 119998327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).