N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride

C16H24Cl2N2O2S — CID 119586595

IUPACN-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CSCC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H23ClN2O2S.ClH/c1-11(2)7-14(8-18)19-16(21)10-22-9-15(20)12-3-5-13(17)6-4-12;/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,21);1H
InChIKeySUJNVHCNYWOFCL-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.17
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride (PubChem CID 119586595) has the molecular formula C16H24Cl2N2O2S and a molecular weight of 379.35 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
PubChem CID119586595
Molecular FormulaC16H24Cl2N2O2S
Molecular Weight379.35 g/mol
Exact Mass378.09
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CSCC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H23ClN2O2S.ClH/c1-11(2)7-14(8-18)19-16(21)10-22-9-15(20)12-3-5-13(17)6-4-12;/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,21);1H
InChIKeySUJNVHCNYWOFCL-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119998327
N-(2-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119033350
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
CID 119587703
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119586311
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 119588684
N-(1-amino-4-methylpentan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119588609
N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119641139
N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
CID 63888731
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride (CID 119586595) is N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride is CC(C)CC(CN)NC(=O)CSCC(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride?
The InChIKey is SUJNVHCNYWOFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S.ClH/c1-11(2)7-14(8-18)19-16(21)10-22-9-15(20)12-3-5-13(17)6-4-12;/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride has a molecular weight of 379.35 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119586595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).