2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide

C12H16ClNO2S — CID 103798809

IUPAC2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
SMILESCSC(CO)C(C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO2S/c1-8(11(7-15)17-2)14-12(16)9-5-3-4-6-10(9)13/h3-6,8,11,15H,7H2,1-2H3,(H,14,16)
InChIKeyHAHTVZTZABIQAG-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.18
Rot. Bonds5

About 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide

2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide (PubChem CID 103798809) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
PubChem CID103798809
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
SMILESCSC(CO)C(C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO2S/c1-8(11(7-15)17-2)14-12(16)9-5-3-4-6-10(9)13/h3-6,8,11,15H,7H2,1-2H3,(H,14,16)
InChIKeyHAHTVZTZABIQAG-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzamide
CID 107168142
2-amino-3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150718
5-bromo-2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798744
2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798755
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide
CID 103798696
3-amino-2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150738
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 103801373
3-(2-chlorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798898
2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 103798681
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide
CID 103801417

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide (CID 103798809) is 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide is CSC(CO)C(C)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is HAHTVZTZABIQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-8(11(7-15)17-2)14-12(16)9-5-3-4-6-10(9)13/h3-6,8,11,15H,7H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide?
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 273.78 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 103798809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).