2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide

C25H28N2O4S — CID 99950546

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
SMILESCCOc1cccc(CNC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O4S/c1-3-20-13-15-22(16-14-20)27(32(29,30)24-11-6-5-7-12-24)19-25(28)26-18-21-9-8-10-23(17-21)31-4-2/h5-17H,3-4,18-19H2,1-2H3,(H,26,28)
InChIKeyIFUPIFQFOUTIFZ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.16
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide (PubChem CID 99950546) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
PubChem CID99950546
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
SMILESCCOc1cccc(CNC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O4S/c1-3-20-13-15-22(16-14-20)27(32(29,30)24-11-6-5-7-12-24)19-25(28)26-18-21-9-8-10-23(17-21)31-4-2/h5-17H,3-4,18-19H2,1-2H3,(H,26,28)
InChIKeyIFUPIFQFOUTIFZ-UHFFFAOYSA-N
XLogP4.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100604334
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30304410
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1050013
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30229496
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30307385
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1318042
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28571064
2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 46770314

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide (CID 99950546) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide is CCOc1cccc(CNC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide?
The InChIKey is IFUPIFQFOUTIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-3-20-13-15-22(16-14-20)27(32(29,30)24-11-6-5-7-12-24)19-25(28)26-18-21-9-8-10-23(17-21)31-4-2/h5-17H,3-4,18-19H2,1-2H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 99950546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).