N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide

C23H25NO3S — CID 71623177

IUPACN-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25NO3S/c1-3-27-22-13-11-21(12-14-22)18-24(17-20-7-5-4-6-8-20)28(25,26)23-15-9-19(2)10-16-23/h4-16H,3,17-18H2,1-2H3
InChIKeyHJGLIOGQYDVRNB-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.78
Rot. Bonds8

About N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 71623177) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID71623177
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC NameN-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25NO3S/c1-3-27-22-13-11-21(12-14-22)18-24(17-20-7-5-4-6-8-20)28(25,26)23-15-9-19(2)10-16-23/h4-16H,3,17-18H2,1-2H3
InChIKeyHJGLIOGQYDVRNB-UHFFFAOYSA-N
XLogP4.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulfonamide (I-3)
CID 25059531
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
N-(4-Methoxy-benzyl)-4-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 654019
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
CID 1339330
N-(2-methylpropyl)-N-[[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]methyl]-1-phenylmethanesulfonamide
CID 89659229
1-[(4-Methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea
CID 821106
1-(2-Methoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122338
N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 779351
1-Benzyl-4-(2-methoxy-5-methyl-benzenesulfonyl)-piperazine
CID 654169
2-(4-Methoxyphenyl)-1,3-bis[(4-methylphenyl)sulfonyl]imidazolidine
CID 1239779

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 71623177) is N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide is CCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is HJGLIOGQYDVRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-3-27-22-13-11-21(12-14-22)18-24(17-20-7-5-4-6-8-20)28(25,26)23-15-9-19(2)10-16-23/h4-16H,3,17-18H2,1-2H3.
What are the key properties of N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 395.52 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71623177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).