N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide

C24H26N2O3S — CID 3641881

IUPACN-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-6-12-23(13-7-18)30(28,29)26-17-21-8-10-22(11-9-21)24(27)25-15-14-20-5-3-4-19(2)16-20/h3-13,16,26H,14-15,17H2,1-2H3,(H,25,27)
InChIKeyRXSMCBUUVPRGLX-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.75
Rot. Bonds8

About N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide

N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide (PubChem CID 3641881) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
PubChem CID3641881
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-6-12-23(13-7-18)30(28,29)26-17-21-8-10-22(11-9-21)24(27)25-15-14-20-5-3-4-19(2)16-20/h3-13,16,26H,14-15,17H2,1-2H3,(H,25,27)
InChIKeyRXSMCBUUVPRGLX-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-benzyl-4-sulfamoylbenzamide
CID 4347
N-methyl-4-sulfamoylbenzamide
CID 4093508
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
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide
CID 3342390
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
n-Propyl-4-sulfamoylbenzamide
CID 226552

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide (CID 3641881) is N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide is Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is RXSMCBUUVPRGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-6-12-23(13-7-18)30(28,29)26-17-21-8-10-22(11-9-21)24(27)25-15-14-20-5-3-4-19(2)16-20/h3-13,16,26H,14-15,17H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide?
N-[2-(3-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-(3-methylphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 3641881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).