2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide

C17H18ClNO2S — CID 2075755

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-2-21-16-6-4-3-5-15(16)19-17(20)12-22-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyFURBTCWJIMNVDZ-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.61
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 2075755) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID2075755
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-2-21-16-6-4-3-5-15(16)19-17(20)12-22-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyFURBTCWJIMNVDZ-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 1412043
N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769058
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
2-[2-(4-chlorophenyl)ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 109002864
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 50759762
5-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]furan-2-carboxylic acid
CID 28896261
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
CID 108946779
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide (CID 2075755) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is FURBTCWJIMNVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-2-21-16-6-4-3-5-15(16)19-17(20)12-22-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 335.86 g/mol, XLogP of 4.61, 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-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 2075755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).