N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide

C10H12ClNO2S — CID 115167187

IUPACN-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CS)c(Cl)c1
InChIInChI=1S/C10H12ClNO2S/c1-14-8-3-2-7(9(11)4-8)5-12-10(13)6-15/h2-4,15H,5-6H2,1H3,(H,12,13)
InChIKeyYUZDAVDZMIDJJB-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.89
Rot. Bonds4

About N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide

N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide (PubChem CID 115167187) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide
PubChem CID115167187
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC NameN-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CS)c(Cl)c1
InChIInChI=1S/C10H12ClNO2S/c1-14-8-3-2-7(9(11)4-8)5-12-10(13)6-15/h2-4,15H,5-6H2,1H3,(H,12,13)
InChIKeyYUZDAVDZMIDJJB-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110783290
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
3-[(2-chloro-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224893
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
N-(4-acetamidophenyl)-2-(2-chloro-4-methoxyphenyl)acetamide
CID 110770008
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide (CID 115167187) is N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide is COc1ccc(CNC(=O)CS)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide?
The InChIKey is YUZDAVDZMIDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-14-8-3-2-7(9(11)4-8)5-12-10(13)6-15/h2-4,15H,5-6H2,1H3,(H,12,13).
What are the key properties of N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide?
N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide has a molecular weight of 245.73 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide is sourced from PubChem (CID 115167187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).