2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide

C12H16ClNO3S — CID 66170018

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-12(17,8-15)7-14-11(16)6-18-10-5-3-2-4-9(10)13/h2-5,15,17H,6-8H2,1H3,(H,14,16)
InChIKeyJMSRZQXDSOIARP-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.29
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide (PubChem CID 66170018) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
PubChem CID66170018
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-12(17,8-15)7-14-11(16)6-18-10-5-3-2-4-9(10)13/h2-5,15,17H,6-8H2,1H3,(H,14,16)
InChIKeyJMSRZQXDSOIARP-UHFFFAOYSA-N
XLogP1.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103712971
2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870141
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176005
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 5223865
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862035
N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119383840
3-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261702
2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725645
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119607296
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide (CID 66170018) is 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide is CC(O)(CO)CNC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The InChIKey is JMSRZQXDSOIARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-12(17,8-15)7-14-11(16)6-18-10-5-3-2-4-9(10)13/h2-5,15,17H,6-8H2,1H3,(H,14,16).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide has a molecular weight of 289.78 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 66170018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).