2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

C13H18ClNO2S — CID 103798755

IUPAC2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-9(12(8-16)18-2)15-13(17)7-10-5-3-4-6-11(10)14/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyQNJJFJUTRINSRX-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.11
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103798755) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID103798755
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-9(12(8-16)18-2)15-13(17)7-10-5-3-4-6-11(10)14/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyQNJJFJUTRINSRX-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
3-(2-chlorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798898
N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2-quinolin-8-ylacetamide
CID 97247799
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzamide
CID 107168142
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide
CID 103801212
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide
CID 103801268
3-(3,4-dichlorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103867190
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide
CID 103867138
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103799111
2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 43175926

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 103798755) is 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is CSC(CO)C(C)NC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is QNJJFJUTRINSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-9(12(8-16)18-2)15-13(17)7-10-5-3-4-6-11(10)14/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 287.81 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103798755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).