2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide

C24H23ClN2O2S — CID 18902461

IUPAC2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCc1ccc(NC(=O)CSc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)c(C)c1
InChIInChI=1S/C24H23ClN2O2S/c1-16-6-11-22(17(2)12-16)27-24(29)15-30-21-5-3-4-20(14-21)26-23(28)13-18-7-9-19(25)10-8-18/h3-12,14H,13,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyALQFDBGJEJSDOZ-UHFFFAOYSA-N
MW438.98 g/mol
LogP5.87
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide

2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 18902461) has the molecular formula C24H23ClN2O2S and a molecular weight of 438.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID18902461
Molecular FormulaC24H23ClN2O2S
Molecular Weight438.98 g/mol
Exact Mass438.12
IUPAC Name2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCc1ccc(NC(=O)CSc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)c(C)c1
InChIInChI=1S/C24H23ClN2O2S/c1-16-6-11-22(17(2)12-16)27-24(29)15-30-21-5-3-4-20(14-21)26-23(28)13-18-7-9-19(25)10-8-18/h3-12,14H,13,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyALQFDBGJEJSDOZ-UHFFFAOYSA-N
XLogP5.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 18902448
2-(4-chlorophenyl)-N-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902486
2-(4-chlorophenyl)-N-[3-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902477
2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide
CID 18912663
2-(3-aminophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 79133682
N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908221
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 18902390
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
4-[3-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897066
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057
N-[(E)-1-(2,6-dichlorophenyl)-3-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19307126

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide (CID 18902461) is 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide is Cc1ccc(NC(=O)CSc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is ALQFDBGJEJSDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2S/c1-16-6-11-22(17(2)12-16)27-24(29)15-30-21-5-3-4-20(14-21)26-23(28)13-18-7-9-19(25)10-8-18/h3-12,14H,13,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide?
2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 438.98 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 18902461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).