N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide

C28H26N2O3S — CID 66715371

IUPACN-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
SMILESCc1ccc(N(Cc2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C28H26N2O3S/c1-21-13-18-26(19-22(21)2)30(34(32,33)27-11-7-4-8-12-27)20-23-14-16-25(17-15-23)29-28(31)24-9-5-3-6-10-24/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyQTSSBOBYKZCYND-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.95
Rot. Bonds7

About N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide

N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide (PubChem CID 66715371) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
PubChem CID66715371
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC NameN-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
SMILESCc1ccc(N(Cc2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C28H26N2O3S/c1-21-13-18-26(19-22(21)2)30(34(32,33)27-11-7-4-8-12-27)20-23-14-16-25(17-15-23)29-28(31)24-9-5-3-6-10-24/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyQTSSBOBYKZCYND-UHFFFAOYSA-N
XLogP5.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]-4-chlorobenzamide
CID 66714993
N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide
CID 56832954
N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-4-fluorobenzamide
CID 66715266
3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 68619894
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
CID 1297380
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[4-(cyanomethyl)phenyl]benzamide
CID 1279935
N-(3,4-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53280605
2-chloro-N-[4-[(3,4-dimethyl-N-propan-2-ylsulfonylanilino)methyl]phenyl]benzamide
CID 66714833
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 3912814
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43880490
N-[4-[(N-ethylsulfonyl-3,4-dimethylanilino)methyl]phenyl]-2-methoxybenzamide
CID 66715123

Frequently Asked Questions

What is the IUPAC name of N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide?
The IUPAC name of N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide (CID 66715371) is N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide is Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide?
The InChIKey is QTSSBOBYKZCYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-21-13-18-26(19-22(21)2)30(34(32,33)27-11-7-4-8-12-27)20-23-14-16-25(17-15-23)29-28(31)24-9-5-3-6-10-24/h3-19H,20H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide?
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide has a molecular weight of 470.59 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide is sourced from PubChem (CID 66715371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).