N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C33H36N2O3S — CID 21373155

IUPACN,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C33H36N2O3S/c1-25-15-17-31(18-16-25)23-35(39(37,38)33-27(3)19-26(2)20-28(33)4)24-32(36)34(21-29-11-7-5-8-12-29)22-30-13-9-6-10-14-30/h5-20H,21-24H2,1-4H3
InChIKeyYSCZIUAJZPCNIR-UHFFFAOYSA-N
MW540.73 g/mol
LogP6.34
Rot. Bonds10

About N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 21373155) has the molecular formula C33H36N2O3S and a molecular weight of 540.73 g/mol. Its IUPAC name is N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID21373155
Molecular FormulaC33H36N2O3S
Molecular Weight540.73 g/mol
Exact Mass540.24
IUPAC NameN,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C33H36N2O3S/c1-25-15-17-31(18-16-25)23-35(39(37,38)33-27(3)19-26(2)20-28(33)4)24-32(36)34(21-29-11-7-5-8-12-29)22-30-13-9-6-10-14-30/h5-20H,21-24H2,1-4H3
InChIKeyYSCZIUAJZPCNIR-UHFFFAOYSA-N
XLogP6.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.73
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373099
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100795048
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
CID 29431037
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 126067641
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 21373137
2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 2202483
N-benzyl-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3938356
N-(2,3-dimethylphenyl)-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371925
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 21373155) is N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1ccc(CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is YSCZIUAJZPCNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O3S/c1-25-15-17-31(18-16-25)23-35(39(37,38)33-27(3)19-26(2)20-28(33)4)24-32(36)34(21-29-11-7-5-8-12-29)22-30-13-9-6-10-14-30/h5-20H,21-24H2,1-4H3.
What are the key properties of N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 540.73 g/mol, XLogP of 6.34, 10 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-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 21373155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).