N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

C13H17Cl2NO2S — CID 103705546

IUPACN-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CSC(C)C(C)O)c1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-7-4-5-10(14)13(12(7)15)16-11(18)6-19-9(3)8(2)17/h4-5,8-9,17H,6H2,1-3H3,(H,16,18)
InChIKeyAQYHEQGMUOIHCB-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.74
Rot. Bonds5

About N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (PubChem CID 103705546) has the molecular formula C13H17Cl2NO2S and a molecular weight of 322.26 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
PubChem CID103705546
Molecular FormulaC13H17Cl2NO2S
Molecular Weight322.26 g/mol
Exact Mass321.04
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CSC(C)C(C)O)c1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-7-4-5-10(14)13(12(7)15)16-11(18)6-19-9(3)8(2)17/h4-5,8-9,17H,6H2,1-3H3,(H,16,18)
InChIKeyAQYHEQGMUOIHCB-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 66225430
2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43248918
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244448
2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 60646972
N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660284
2-[(2S,3R)-3-hydroxybutan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 96537329
N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 107770544
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
6-(2,6-dichloro-3-methylanilino)-6-oxohexanoic acid
CID 43529433
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
(2S,3R)-2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965717

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (CID 103705546) is N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is Cc1ccc(Cl)c(NC(=O)CSC(C)C(C)O)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The InChIKey is AQYHEQGMUOIHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S/c1-7-4-5-10(14)13(12(7)15)16-11(18)6-19-9(3)8(2)17/h4-5,8-9,17H,6H2,1-3H3,(H,16,18).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide has a molecular weight of 322.26 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 103705546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).