2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

C12H16ClNO4S — CID 107846297

IUPAC2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC(CO)(CO)CO
InChIInChI=1S/C12H16ClNO4S/c13-9-1-3-10(4-2-9)19-5-11(18)14-12(6-15,7-16)8-17/h1-4,15-17H,5-8H2,(H,14,18)
InChIKeyBJWHFQMEXYWTNL-UHFFFAOYSA-N
MW305.78 g/mol
LogP0.26
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (PubChem CID 107846297) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
PubChem CID107846297
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC(CO)(CO)CO
InChIInChI=1S/C12H16ClNO4S/c13-9-1-3-10(4-2-9)19-5-11(18)14-12(6-15,7-16)8-17/h1-4,15-17H,5-8H2,(H,14,18)
InChIKeyBJWHFQMEXYWTNL-UHFFFAOYSA-N
XLogP0.26
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846245
2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 94844150
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825250
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 107847155
2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide
CID 154309569
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115877823
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (CID 107846297) is 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is O=C(CSc1ccc(Cl)cc1)NC(CO)(CO)CO.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The InChIKey is BJWHFQMEXYWTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c13-9-1-3-10(4-2-9)19-5-11(18)14-12(6-15,7-16)8-17/h1-4,15-17H,5-8H2,(H,14,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide has a molecular weight of 305.78 g/mol, XLogP of 0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is sourced from PubChem (CID 107846297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).