2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

C17H18ClNO2S — CID 881726

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-21-16-7-5-13(6-8-16)10-19-17(20)12-22-11-14-3-2-4-15(18)9-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyCYEDBAFHNQQONP-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.90
Rot. Bonds7

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 881726) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID881726
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-21-16-7-5-13(6-8-16)10-19-17(20)12-22-11-14-3-2-4-15(18)9-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyCYEDBAFHNQQONP-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-ol
CID 2839874
2-[4-(3-Chlorobenzyloxy)benzyl]aminoacetamide
CID 11324179
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3,4-dimethoxybenzamide
CID 2420225
2-(4-Methoxyphenyl)-1,3-thiazolidin-4-one
CID 3158592
N~2~-(4-chlorobenzyl)-N~1~-(4-methoxybenzyl)-N~2~-(methylsulfonyl)glycinamide
CID 2301916
N-[(4-methoxyphenyl)methyl]-1,4-dithiane-2-carboxamide
CID 2999482
3-[(3-chlorobenzyl)sulfonyl]-N-(2,4-dimethoxybenzyl)propanamide
CID 4119956
N-[1-(4-butoxyphenyl)ethyl]-3-[(2-chlorobenzyl)sulfonyl]propanamide
CID 4177496
3-[(2-chlorobenzyl)thio]-N-(2,4-dimethoxybenzyl)propanamide
CID 4988116
(2E)-3-(2-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)prop-2-enamide
CID 6268657
2-[(2-chloro-6-fluorobenzyl)thio]-N-(4-methoxybenzyl)acetamide
CID 2233748
3-Benzyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 2840313

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 881726) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is CYEDBAFHNQQONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-21-16-7-5-13(6-8-16)10-19-17(20)12-22-11-14-3-2-4-15(18)9-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 335.86 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 881726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).