2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide

C13H18Cl2N2OS — CID 66225430

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CSCC(C)CN)c1Cl
InChIInChI=1S/C13H18Cl2N2OS/c1-8(5-16)6-19-7-11(18)17-13-10(14)4-3-9(2)12(13)15/h3-4,8H,5-7,16H2,1-2H3,(H,17,18)
InChIKeyGDJPOKPXHLNHIH-UHFFFAOYSA-N
MW321.27 g/mol
LogP3.57
Rot. Bonds6

About 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide

2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide (PubChem CID 66225430) has the molecular formula C13H18Cl2N2OS and a molecular weight of 321.27 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
PubChem CID66225430
Molecular FormulaC13H18Cl2N2OS
Molecular Weight321.27 g/mol
Exact Mass320.05
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CSCC(C)CN)c1Cl
InChIInChI=1S/C13H18Cl2N2OS/c1-8(5-16)6-19-7-11(18)17-13-10(14)4-3-9(2)12(13)15/h3-4,8H,5-7,16H2,1-2H3,(H,17,18)
InChIKeyGDJPOKPXHLNHIH-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705546
2-(3-amino-2-methylpropyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 66224752
2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43248918
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 60646972
2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 66226083
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022
2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 66226971
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 66225221
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263564
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806685

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide (CID 66225430) is 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide is Cc1ccc(Cl)c(NC(=O)CSCC(C)CN)c1Cl.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide?
The InChIKey is GDJPOKPXHLNHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2OS/c1-8(5-16)6-19-7-11(18)17-13-10(14)4-3-9(2)12(13)15/h3-4,8H,5-7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide has a molecular weight of 321.27 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide is sourced from PubChem (CID 66225430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).