N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide

C13H19ClN2OS — CID 119522821

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(C)(CN)NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2OS/c1-13(2,9-15)16-12(17)7-8-18-11-5-3-10(14)4-6-11/h3-6H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyOOGPZJPQWJHUBS-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.68
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide

N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 119522821) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID119522821
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(C)(CN)NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2OS/c1-13(2,9-15)16-12(17)7-8-18-11-5-3-10(14)4-6-11/h3-6H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyOOGPZJPQWJHUBS-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119521442
N-[3-(aminomethyl)pentan-3-yl]-3-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119570011
N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119523977
4-(4-chlorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82726194
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119609120
2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 94844150
4-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846245
N-tert-butyl-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 60666996
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 119572330
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119522730
N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7920186

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide (CID 119522821) is N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide is CC(C)(CN)NC(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is OOGPZJPQWJHUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-13(2,9-15)16-12(17)7-8-18-11-5-3-10(14)4-6-11/h3-6H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 286.83 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 119522821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).