2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide

C17H18ClNO2S — CID 33288226

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide
SMILESCOCc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO2S/c1-21-10-14-3-2-4-16(9-14)19-17(20)12-22-11-13-5-7-15(18)8-6-13/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyOBOLCYDSDMTWRT-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.36
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide (PubChem CID 33288226) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide
PubChem CID33288226
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide
SMILESCOCc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO2S/c1-21-10-14-3-2-4-16(9-14)19-17(20)12-22-11-13-5-7-15(18)8-6-13/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyOBOLCYDSDMTWRT-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
2-[(4-bromophenyl)methylsulfanyl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 112827066
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 54897792
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide (CID 33288226) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide is COCc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide?
The InChIKey is OBOLCYDSDMTWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-21-10-14-3-2-4-16(9-14)19-17(20)12-22-11-13-5-7-15(18)8-6-13/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide has a molecular weight of 335.86 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide is sourced from PubChem (CID 33288226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).