N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide

C24H23ClN2O5S — CID 18905643

IUPACN-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESCOc1cc(OC)c(NC(=O)CSc2cccc(NC(=O)COc3ccccc3)c2)cc1Cl
InChIInChI=1S/C24H23ClN2O5S/c1-30-21-13-22(31-2)20(12-19(21)25)27-24(29)15-33-18-10-6-7-16(11-18)26-23(28)14-32-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPVIBWEMZESNVQO-UHFFFAOYSA-N
MW486.98 g/mol
LogP5.11
Rot. Bonds10

About N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide

N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (PubChem CID 18905643) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
PubChem CID18905643
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC NameN-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESCOc1cc(OC)c(NC(=O)CSc2cccc(NC(=O)COc3ccccc3)c2)cc1Cl
InChIInChI=1S/C24H23ClN2O5S/c1-30-21-13-22(31-2)20(12-19(21)25)27-24(29)15-33-18-10-6-7-16(11-18)26-23(28)14-32-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPVIBWEMZESNVQO-UHFFFAOYSA-N
XLogP5.11
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316356
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905619
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 23100140
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299690
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
CID 19318404
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
N-[(E)-3-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylanilino]-1-(2,3-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19307428
N-[(E)-3-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylanilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19311460
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate
CID 19318458
N-(5-chloro-2-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316382

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (CID 18905643) is N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is COc1cc(OC)c(NC(=O)CSc2cccc(NC(=O)COc3ccccc3)c2)cc1Cl.
What is the InChIKey of N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The InChIKey is PVIBWEMZESNVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-30-21-13-22(31-2)20(12-19(21)25)27-24(29)15-33-18-10-6-7-16(11-18)26-23(28)14-32-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide has a molecular weight of 486.98 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 18905643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).