2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide

C11H12Cl3NO2S — CID 66114967

IUPAC2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CSCCCO)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO2S/c12-7-4-8(13)11(9(14)5-7)15-10(17)6-18-3-1-2-16/h4-5,16H,1-3,6H2,(H,15,17)
InChIKeyVCZLZJSAJVSCPG-UHFFFAOYSA-N
MW328.65 g/mol
LogP3.70
Rot. Bonds6

About 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide

2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 66114967) has the molecular formula C11H12Cl3NO2S and a molecular weight of 328.65 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID66114967
Molecular FormulaC11H12Cl3NO2S
Molecular Weight328.65 g/mol
Exact Mass326.97
IUPAC Name2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CSCCCO)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO2S/c12-7-4-8(13)11(9(14)5-7)15-10(17)6-18-3-1-2-16/h4-5,16H,1-3,6H2,(H,15,17)
InChIKeyVCZLZJSAJVSCPG-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114723
N-(2-amino-4,6-dichlorophenyl)-2-(3-methylbutylsulfanyl)acetamide
CID 107749089
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] N'-aminocarbamimidothioate
CID 77061134
2-(3-hydroxypropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66112760
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570285
2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836
2-(2-hydroxyphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 62000709
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
methyl 2-[4-(4-amino-2,6-dichloroanilino)-4-oxobutyl]sulfanylacetate
CID 43618026
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide (CID 66114967) is 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide is O=C(CSCCCO)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is VCZLZJSAJVSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2S/c12-7-4-8(13)11(9(14)5-7)15-10(17)6-18-3-1-2-16/h4-5,16H,1-3,6H2,(H,15,17).
What are the key properties of 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 328.65 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 66114967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).