2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide

C11H14ClNO3S — CID 66176005

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(CSc1ccccc1Cl)NCC(O)CO
InChIInChI=1S/C11H14ClNO3S/c12-9-3-1-2-4-10(9)17-7-11(16)13-5-8(15)6-14/h1-4,8,14-15H,5-7H2,(H,13,16)
InChIKeyZEMSMPVFXYGGDM-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.90
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide (PubChem CID 66176005) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
PubChem CID66176005
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
SMILESO=C(CSc1ccccc1Cl)NCC(O)CO
InChIInChI=1S/C11H14ClNO3S/c12-9-3-1-2-4-10(9)17-7-11(16)13-5-8(15)6-14/h1-4,8,14-15H,5-7H2,(H,13,16)
InChIKeyZEMSMPVFXYGGDM-UHFFFAOYSA-N
XLogP0.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725645
N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119383840
2-[[[2-(2-chlorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid
CID 65223556
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170018
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862035
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide
CID 79194235
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176868
2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870141
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-dihydroxypropyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide (CID 66176005) is 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide is O=C(CSc1ccccc1Cl)NCC(O)CO.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide?
The InChIKey is ZEMSMPVFXYGGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-9-3-1-2-4-10(9)17-7-11(16)13-5-8(15)6-14/h1-4,8,14-15H,5-7H2,(H,13,16).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide has a molecular weight of 275.76 g/mol, XLogP of 0.90, 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-dihydroxypropyl)acetamide is sourced from PubChem (CID 66176005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).