2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide

C18H19Cl2N3O2S — CID 9198233

IUPAC2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N3O2S/c1-23(10-17(24)21-12-4-3-5-14(8-12)26-2)11-18(25)22-13-6-7-15(19)16(20)9-13/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJELNAEJUWQNLER-UHFFFAOYSA-N
MW412.34 g/mol
LogP4.22
Rot. Bonds7

About 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide

2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 9198233) has the molecular formula C18H19Cl2N3O2S and a molecular weight of 412.34 g/mol. Its IUPAC name is 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID9198233
Molecular FormulaC18H19Cl2N3O2S
Molecular Weight412.34 g/mol
Exact Mass411.06
IUPAC Name2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N3O2S/c1-23(10-17(24)21-12-4-3-5-14(8-12)26-2)11-18(25)22-13-6-7-15(19)16(20)9-13/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJELNAEJUWQNLER-UHFFFAOYSA-N
XLogP4.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 2439903
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126034145
2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 18078744
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46771851
N-(3-methylsulfanylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27096610
N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348587
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide (CID 9198233) is 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is JELNAEJUWQNLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2S/c1-23(10-17(24)21-12-4-3-5-14(8-12)26-2)11-18(25)22-13-6-7-15(19)16(20)9-13/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide?
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 412.34 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9198233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).