2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide

C29H28N2O3S — CID 126139068

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H28N2O3S/c1-3-24-16-12-13-22(2)28(24)30-29(32)26-19-10-11-20-27(26)31(21-23-14-6-4-7-15-23)35(33,34)25-17-8-5-9-18-25/h4-20H,3,21H2,1-2H3,(H,30,32)
InChIKeyJZAROGYSYCHCNG-UHFFFAOYSA-N
MW484.62 g/mol
LogP6.21
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide

2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide (PubChem CID 126139068) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
PubChem CID126139068
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H28N2O3S/c1-3-24-16-12-13-22(2)28(24)30-29(32)26-19-10-11-20-27(26)31(21-23-14-6-4-7-15-23)35(33,34)25-17-8-5-9-18-25/h4-20H,3,21H2,1-2H3,(H,30,32)
InChIKeyJZAROGYSYCHCNG-UHFFFAOYSA-N
XLogP6.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126335731
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
CID 1097903
2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
CID 21372596
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 958648
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
2-[benzenesulfonyl(benzyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100632108
2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519104
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 2262005

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide (CID 126139068) is 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide is CCc1cccc(C)c1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide?
The InChIKey is JZAROGYSYCHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-3-24-16-12-13-22(2)28(24)30-29(32)26-19-10-11-20-27(26)31(21-23-14-6-4-7-15-23)35(33,34)25-17-8-5-9-18-25/h4-20H,3,21H2,1-2H3,(H,30,32).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide has a molecular weight of 484.62 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide is sourced from PubChem (CID 126139068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).