N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide

C24H24N2O3S — CID 18905949

IUPACN-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
SMILESCCOc1ccc(NC(=O)CSc2cccc(NC(=O)Cc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O3S/c1-2-29-21-13-11-19(12-14-21)25-24(28)17-30-22-10-6-9-20(16-22)26-23(27)15-18-7-4-3-5-8-18/h3-14,16H,2,15,17H2,1H3,(H,25,28)(H,26,27)
InChIKeyKYTDFQCCGXPSJR-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.00
Rot. Bonds9

About N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide

N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (PubChem CID 18905949) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
PubChem CID18905949
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
SMILESCCOc1ccc(NC(=O)CSc2cccc(NC(=O)Cc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O3S/c1-2-29-21-13-11-19(12-14-21)25-24(28)17-30-22-10-6-9-20(16-22)26-23(27)15-18-7-4-3-5-8-18/h3-14,16H,2,15,17H2,1H3,(H,25,28)(H,26,27)
InChIKeyKYTDFQCCGXPSJR-UHFFFAOYSA-N
XLogP5.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316374
(E)-N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 18901917
N-(4-ethoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316662
ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate
CID 19318459
2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 2949616
N-[(Z)-3-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-(4-phenylmethoxyphenyl)prop-1-en-2-yl]benzamide
CID 19314646
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616661
2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55610898
N-[(Z)-3-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-3-ylprop-1-en-2-yl]benzamide
CID 19312054

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (CID 18905949) is N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is CCOc1ccc(NC(=O)CSc2cccc(NC(=O)Cc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The InChIKey is KYTDFQCCGXPSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-2-29-21-13-11-19(12-14-21)25-24(28)17-30-22-10-6-9-20(16-22)26-23(27)15-18-7-4-3-5-8-18/h3-14,16H,2,15,17H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide has a molecular weight of 420.53 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is sourced from PubChem (CID 18905949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).