N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide

C11H14ClNO3S — CID 2959650

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSCCO)cc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-16-10-3-2-8(6-9(10)12)13-11(15)7-17-5-4-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyFVAFOZAYLNESMV-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.01
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide (PubChem CID 2959650) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
PubChem CID2959650
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSCCO)cc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-16-10-3-2-8(6-9(10)12)13-11(15)7-17-5-4-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyFVAFOZAYLNESMV-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891778
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558
N-(3-chloro-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683803
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 105353137
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide (CID 2959650) is N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide is COc1ccc(NC(=O)CSCCO)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide?
The InChIKey is FVAFOZAYLNESMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-16-10-3-2-8(6-9(10)12)13-11(15)7-17-5-4-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide has a molecular weight of 275.76 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide is sourced from PubChem (CID 2959650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).