N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide

C21H19Cl2NO2S — CID 57456389

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CCc1ccc(Cl)cc1Cl)Cc1ccc(O)cc1
InChIInChI=1S/C21H19Cl2NO2S/c22-18-4-3-17(20(23)12-18)7-9-24(13-15-1-5-19(25)6-2-15)21(26)11-16-8-10-27-14-16/h1-6,8,10,12,14,25H,7,9,11,13H2
InChIKeyAVQSJOYFYMHMRG-UHFFFAOYSA-N
MW420.36 g/mol
LogP5.57
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 57456389) has the molecular formula C21H19Cl2NO2S and a molecular weight of 420.36 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
PubChem CID57456389
Molecular FormulaC21H19Cl2NO2S
Molecular Weight420.36 g/mol
Exact Mass419.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CCc1ccc(Cl)cc1Cl)Cc1ccc(O)cc1
InChIInChI=1S/C21H19Cl2NO2S/c22-18-4-3-17(20(23)12-18)7-9-24(13-15-1-5-19(25)6-2-15)21(26)11-16-8-10-27-14-16/h1-6,8,10,12,14,25H,7,9,11,13H2
InChIKeyAVQSJOYFYMHMRG-UHFFFAOYSA-N
XLogP5.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.36
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2-thiophen-3-ylacetamide
CID 60653994
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
CID 42709118
2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 42657339
ethyl 4-[2-(2,4-dichlorophenyl)ethyl-[(3,4-dimethoxyphenyl)methyl]amino]-4-oxobutanoate
CID 42709217
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide
CID 42709041
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 1061069
N-[(5-chloro-2-nitrophenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-thiophen-3-ylacetamide
CID 164848770
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 42703013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide (CID 57456389) is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N(CCc1ccc(Cl)cc1Cl)Cc1ccc(O)cc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is AVQSJOYFYMHMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2S/c22-18-4-3-17(20(23)12-18)7-9-24(13-15-1-5-19(25)6-2-15)21(26)11-16-8-10-27-14-16/h1-6,8,10,12,14,25H,7,9,11,13H2.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 420.36 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 57456389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).