2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide

C18H20ClNO3S — CID 55352281

IUPAC2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC(C)c2ccccc2Cl)c(OC)c1
InChIInChI=1S/C18H20ClNO3S/c1-12(14-6-4-5-7-15(14)19)24-11-18(21)20-16-9-8-13(22-2)10-17(16)23-3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyGCTBKBUCICWLLX-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.79
Rot. Bonds7

About 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide

2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 55352281) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID55352281
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC(C)c2ccccc2Cl)c(OC)c1
InChIInChI=1S/C18H20ClNO3S/c1-12(14-6-4-5-7-15(14)19)24-11-18(21)20-16-9-8-13(22-2)10-17(16)23-3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyGCTBKBUCICWLLX-UHFFFAOYSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9307195
2-[1-(2-chlorophenyl)ethylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 51171758
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
CID 9307194
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
N-(2,3-dichlorophenyl)-2-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]acetamide
CID 3910876
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869
2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 22585488
(2S)-2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7698076
2-(3,5-dichlorophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 7467088
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954579

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide (CID 55352281) is 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSC(C)c2ccccc2Cl)c(OC)c1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is GCTBKBUCICWLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-12(14-6-4-5-7-15(14)19)24-11-18(21)20-16-9-8-13(22-2)10-17(16)23-3/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 365.88 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 55352281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).