N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

C30H30N2O3S — CID 126119642

IUPACN,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccccc1CN(c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C30H30N2O3S/c1-24-11-9-10-16-28(24)23-32(36(2,34)35)29-19-17-27(18-20-29)30(33)31(21-25-12-5-3-6-13-25)22-26-14-7-4-8-15-26/h3-20H,21-23H2,1-2H3
InChIKeyFMTQFMWFLVKETF-UHFFFAOYSA-N
MW498.65 g/mol
LogP5.80
Rot. Bonds9

About N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 126119642) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID126119642
Molecular FormulaC30H30N2O3S
Molecular Weight498.65 g/mol
Exact Mass498.20
IUPAC NameN,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccccc1CN(c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C30H30N2O3S/c1-24-11-9-10-16-28(24)23-32(36(2,34)35)29-19-17-27(18-20-29)30(33)31(21-25-12-5-3-6-13-25)22-26-14-7-4-8-15-26/h3-20H,21-23H2,1-2H3
InChIKeyFMTQFMWFLVKETF-UHFFFAOYSA-N
XLogP5.80
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 ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 1312535
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 1210836
N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 17201100
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126184390
N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117559
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
CID 1295557
N-(cyclododecylideneamino)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119637
N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1315945
4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 133243740
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23912821

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 126119642) is N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is Cc1ccccc1CN(c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is FMTQFMWFLVKETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3S/c1-24-11-9-10-16-28(24)23-32(36(2,34)35)29-19-17-27(18-20-29)30(33)31(21-25-12-5-3-6-13-25)22-26-14-7-4-8-15-26/h3-20H,21-23H2,1-2H3.
What are the key properties of N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 498.65 g/mol, XLogP of 5.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 126119642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).