2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide

C24H26N2O5S — CID 55346376

IUPAC2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-30-21-14-16-23(17-15-21)32(28,29)26(3)20-10-12-22(13-11-20)31-18-24(27)25(2)19-8-6-5-7-9-19/h5-17H,4,18H2,1-3H3
InChIKeyPRIZFRVWSBZIKH-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.95
Rot. Bonds9

About 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide

2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide (PubChem CID 55346376) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
PubChem CID55346376
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-30-21-14-16-23(17-15-21)32(28,29)26(3)20-10-12-22(13-11-20)31-18-24(27)25(2)19-8-6-5-7-9-19/h5-17H,4,18H2,1-3H3
InChIKeyPRIZFRVWSBZIKH-UHFFFAOYSA-N
XLogP3.95
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide
CID 7643378
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55328930
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 4812581
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide (CID 55346376) is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide is CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide?
The InChIKey is PRIZFRVWSBZIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-30-21-14-16-23(17-15-21)32(28,29)26(3)20-10-12-22(13-11-20)31-18-24(27)25(2)19-8-6-5-7-9-19/h5-17H,4,18H2,1-3H3.
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide?
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide has a molecular weight of 454.55 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 55346376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).