4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide

C24H25NO4S — CID 40750825

IUPAC4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C24H25NO4S/c1-3-25(30(27,28)24-15-11-22(12-16-24)19(2)26)17-20-9-13-23(14-10-20)29-18-21-7-5-4-6-8-21/h4-16H,3,17-18H2,1-2H3
InChIKeyAQSKNGUJYXGLHS-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.68
Rot. Bonds9

About 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide

4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 40750825) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
PubChem CID40750825
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C24H25NO4S/c1-3-25(30(27,28)24-15-11-22(12-16-24)19(2)26)17-20-9-13-23(14-10-20)29-18-21-7-5-4-6-8-21/h4-16H,3,17-18H2,1-2H3
InChIKeyAQSKNGUJYXGLHS-UHFFFAOYSA-N
XLogP4.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
4-[(4-phenoxyphenyl)sulfonyl-[(4-phenylmethoxyphenyl)methyl]amino]butanoic acid
CID 51346028
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
CID 5140341
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
CID 113222280
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]benzoic acid
CID 100553237
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide
CID 135065997

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide (CID 40750825) is 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide is CCN(Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is AQSKNGUJYXGLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-3-25(30(27,28)24-15-11-22(12-16-24)19(2)26)17-20-9-13-23(14-10-20)29-18-21-7-5-4-6-8-21/h4-16H,3,17-18H2,1-2H3.
What are the key properties of 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide?
4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 423.53 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 40750825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).