N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide

C24H26N2O3S — CID 3382585

IUPACN-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
SMILESCc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-3-7-20(8-4-18)15-16-25-24(27)22-11-9-21(10-12-22)17-26-30(28,29)23-13-5-19(2)6-14-23/h3-14,26H,15-17H2,1-2H3,(H,25,27)
InChIKeySEHKNXHOUKJSIO-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.75
Rot. Bonds8

About N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide

N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide (PubChem CID 3382585) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
PubChem CID3382585
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
SMILESCc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-3-7-20(8-4-18)15-16-25-24(27)22-11-9-21(10-12-22)17-26-30(28,29)23-13-5-19(2)6-14-23/h3-14,26H,15-17H2,1-2H3,(H,25,27)
InChIKeySEHKNXHOUKJSIO-UHFFFAOYSA-N
XLogP3.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
N-benzyl-4-sulfamoylbenzamide
CID 4347
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide (CID 3382585) is N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide is Cc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is SEHKNXHOUKJSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-3-7-20(8-4-18)15-16-25-24(27)22-11-9-21(10-12-22)17-26-30(28,29)23-13-5-19(2)6-14-23/h3-14,26H,15-17H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 3382585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).