N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide

C30H30N2O3S — CID 100788127

IUPACN,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C30H30N2O3S/c1-24-13-19-29(20-14-24)36(34,35)31(2)28-17-15-25(16-18-28)21-30(33)32(22-26-9-5-3-6-10-26)23-27-11-7-4-8-12-27/h3-20H,21-23H2,1-2H3
InChIKeyXASYHYWYWNATFY-UHFFFAOYSA-N
MW498.65 g/mol
LogP5.59
Rot. Bonds9

About N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide

N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 100788127) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID100788127
Molecular FormulaC30H30N2O3S
Molecular Weight498.65 g/mol
Exact Mass498.20
IUPAC NameN,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C30H30N2O3S/c1-24-13-19-29(20-14-24)36(34,35)31(2)28-17-15-25(16-18-28)21-30(33)32(22-26-9-5-3-6-10-26)23-27-11-7-4-8-12-27/h3-20H,21-23H2,1-2H3
InChIKeyXASYHYWYWNATFY-UHFFFAOYSA-N
XLogP5.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
N-(4-fluorophenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787902
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100787346
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(3-methoxyphenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787905
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 100788127) is N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is XASYHYWYWNATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3S/c1-24-13-19-29(20-14-24)36(34,35)31(2)28-17-15-25(16-18-28)21-30(33)32(22-26-9-5-3-6-10-26)23-27-11-7-4-8-12-27/h3-20H,21-23H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 498.65 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 100788127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).