2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide

C30H30N2O4S — CID 30169640

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide
SMILESCCOc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C30H30N2O4S/c1-2-36-28-20-18-27(19-21-28)32(37(34,35)29-16-10-5-11-17-29)24-30(33)31(22-25-12-6-3-7-13-25)23-26-14-8-4-9-15-26/h3-21H,2,22-24H2,1H3
InChIKeySYTUXYWWGDLZAN-UHFFFAOYSA-N
MW514.65 g/mol
LogP5.51
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide (PubChem CID 30169640) has the molecular formula C30H30N2O4S and a molecular weight of 514.65 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide
PubChem CID30169640
Molecular FormulaC30H30N2O4S
Molecular Weight514.65 g/mol
Exact Mass514.19
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide
SMILESCCOc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C30H30N2O4S/c1-2-36-28-20-18-27(19-21-28)32(37(34,35)29-16-10-5-11-17-29)24-30(33)31(22-25-12-6-3-7-13-25)23-26-14-8-4-9-15-26/h3-21H,2,22-24H2,1H3
InChIKeySYTUXYWWGDLZAN-UHFFFAOYSA-N
XLogP5.51
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-benzylamino]-3-phenyl-N-propylpropanamide
CID 132638014
2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-benzylamino]-N-methyl-3-phenylpropanamide
CID 132632951
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N,N-dibenzylacetamide
CID 2889288
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
CID 43891625
N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide
CID 42697318
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-benzylamino]-N-cyclohexylpropanamide
CID 132631487
(2S)-2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-benzylamino]-N-cyclohexylbutanamide
CID 100523005
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1102427
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide (CID 30169640) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide is CCOc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide?
The InChIKey is SYTUXYWWGDLZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4S/c1-2-36-28-20-18-27(19-21-28)32(37(34,35)29-16-10-5-11-17-29)24-30(33)31(22-25-12-6-3-7-13-25)23-26-14-8-4-9-15-26/h3-21H,2,22-24H2,1H3.
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide has a molecular weight of 514.65 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide is sourced from PubChem (CID 30169640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).