2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide

C16H16ClNO2S — CID 60629859

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO2S/c17-14-5-1-4-13(7-14)10-21-11-16(20)18-15-6-2-3-12(8-15)9-19/h1-8,19H,9-11H2,(H,18,20)
InChIKeyYTIDFASGEHTTFD-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.70
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide (PubChem CID 60629859) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
PubChem CID60629859
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO2S/c17-14-5-1-4-13(7-14)10-21-11-16(20)18-15-6-2-3-12(8-15)9-19/h1-8,19H,9-11H2,(H,18,20)
InChIKeyYTIDFASGEHTTFD-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56506682
N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 55532780
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 26252162
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26123101
2-[(3-chlorophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 893713
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 33288226

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide (CID 60629859) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide is O=C(CSCc1cccc(Cl)c1)Nc1cccc(CO)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide?
The InChIKey is YTIDFASGEHTTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-14-5-1-4-13(7-14)10-21-11-16(20)18-15-6-2-3-12(8-15)9-19/h1-8,19H,9-11H2,(H,18,20).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide has a molecular weight of 321.83 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-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 60629859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).