2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide

C13H18ClNO2S — CID 115870141

IUPAC2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCC(C)(CCO)NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-13(2,7-8-16)15-12(17)9-18-11-6-4-3-5-10(11)14/h3-6,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyZWIOSUSHZCHDKR-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide (PubChem CID 115870141) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
PubChem CID115870141
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCC(C)(CCO)NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-13(2,7-8-16)15-12(17)9-18-11-6-4-3-5-10(11)14/h3-6,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyZWIOSUSHZCHDKR-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261702
N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 5223865
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119607296
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170018
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-2-methylpentanoate
CID 43423735
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119570398
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-one
CID 66140142
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176005

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide (CID 115870141) is 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide is CC(C)(CCO)NC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
The InChIKey is ZWIOSUSHZCHDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-13(2,7-8-16)15-12(17)9-18-11-6-4-3-5-10(11)14/h3-6,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide has a molecular weight of 287.81 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 115870141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).