N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C29H28N2O4S — CID 126373552

IUPACN,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C29H28N2O4S/c1-30(36(33,34)28-19-17-27(35-2)18-20-28)26-15-13-25(14-16-26)29(32)31(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-20H,21-22H2,1-2H3
InChIKeySBHXYXVMEOXRLS-UHFFFAOYSA-N
MW500.62 g/mol
LogP5.36
Rot. Bonds9

About N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 126373552) has the molecular formula C29H28N2O4S and a molecular weight of 500.62 g/mol. Its IUPAC name is N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID126373552
Molecular FormulaC29H28N2O4S
Molecular Weight500.62 g/mol
Exact Mass500.18
IUPAC NameN,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C29H28N2O4S/c1-30(36(33,34)28-19-17-27(35-2)18-20-28)26-15-13-25(14-16-26)29(32)31(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-20H,21-22H2,1-2H3
InChIKeySBHXYXVMEOXRLS-UHFFFAOYSA-N
XLogP5.36
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
CID 3472525
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 1312535
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46788854
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788127
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide
CID 2224678

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 126373552) is N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is SBHXYXVMEOXRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4S/c1-30(36(33,34)28-19-17-27(35-2)18-20-28)26-15-13-25(14-16-26)29(32)31(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-20H,21-22H2,1-2H3.
What are the key properties of N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 500.62 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 126373552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).