N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide

C28H24N2O3S — CID 23096407

IUPACN-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(SCC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24N2O3S/c31-27(20-33-25-14-8-3-9-15-25)29-22-16-18-26(19-17-22)34-21-28(32)30(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-19H,20-21H2,(H,29,31)
InChIKeyHTJRTYVZVUFPHA-UHFFFAOYSA-N
MW468.58 g/mol
LogP6.16
Rot. Bonds9

About N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide

N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide (PubChem CID 23096407) has the molecular formula C28H24N2O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide
PubChem CID23096407
Molecular FormulaC28H24N2O3S
Molecular Weight468.58 g/mol
Exact Mass468.15
IUPAC NameN-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(SCC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24N2O3S/c31-27(20-33-25-14-8-3-9-15-25)29-22-16-18-26(19-17-22)34-21-28(32)30(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-19H,20-21H2,(H,29,31)
InChIKeyHTJRTYVZVUFPHA-UHFFFAOYSA-N
XLogP6.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
2-hydroxy-5-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 22782785
N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19631701
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide
CID 22779662
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19630696
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22781306
[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616661
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide
CID 112988677
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
CID 19318404
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide (CID 23096407) is N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(SCC(=O)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide?
The InChIKey is HTJRTYVZVUFPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3S/c31-27(20-33-25-14-8-3-9-15-25)29-22-16-18-26(19-17-22)34-21-28(32)30(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-19H,20-21H2,(H,29,31).
What are the key properties of N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide?
N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide has a molecular weight of 468.58 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 23096407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).