2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

C29H24Cl2N2O3S — CID 18902348

IUPAC2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCCOc1ccccc1NC(=O)C(Sc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1
InChIInChI=1S/C29H24Cl2N2O3S/c1-2-36-26-14-7-6-13-25(26)33-29(35)27(19-9-4-3-5-10-19)37-22-12-8-11-21(18-22)32-28(34)23-16-15-20(30)17-24(23)31/h3-18,27H,2H2,1H3,(H,32,34)(H,33,35)
InChIKeyCTDBWSKWSGWCQI-UHFFFAOYSA-N
MW551.50 g/mol
LogP8.12
Rot. Bonds9

About 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (PubChem CID 18902348) has the molecular formula C29H24Cl2N2O3S and a molecular weight of 551.50 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
PubChem CID18902348
Molecular FormulaC29H24Cl2N2O3S
Molecular Weight551.50 g/mol
Exact Mass550.09
IUPAC Name2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCCOc1ccccc1NC(=O)C(Sc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1
InChIInChI=1S/C29H24Cl2N2O3S/c1-2-36-26-14-7-6-13-25(26)33-29(35)27(19-9-4-3-5-10-19)37-22-12-8-11-21(18-22)32-28(34)23-16-15-20(30)17-24(23)31/h3-18,27H,2H2,1H3,(H,32,34)(H,33,35)
InChIKeyCTDBWSKWSGWCQI-UHFFFAOYSA-N
XLogP8.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.50
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[3-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18902308
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2,4-dichlorobenzamide
CID 18902302
2,4-dichloro-N-[4-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21169072
N-[(E)-3-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(2-ethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19309893
2,4-dichloro-N-[3-[2-oxo-1-phenyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 18902361
N-[3-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902889
2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide
CID 18901161
N-[3-[2-(5-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904038
2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18912624
3,4-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18902914
2,3,4,5-tetrachloro-6-[[3-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18896086
N-[(E)-3-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(2-ethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19309856

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (CID 18902348) is 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is CCOc1ccccc1NC(=O)C(Sc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1.
What is the InChIKey of 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The InChIKey is CTDBWSKWSGWCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N2O3S/c1-2-36-26-14-7-6-13-25(26)33-29(35)27(19-9-4-3-5-10-19)37-22-12-8-11-21(18-22)32-28(34)23-16-15-20(30)17-24(23)31/h3-18,27H,2H2,1H3,(H,32,34)(H,33,35).
What are the key properties of 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide has a molecular weight of 551.50 g/mol, XLogP of 8.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18902348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).