N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide

C25H28N2O3S — CID 24676552

IUPACN-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H28N2O3S/c1-20-14-15-23(31(29,30)26(2)3)18-24(20)25(28)27(19-22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h4-15,18H,16-17,19H2,1-3H3
InChIKeyXAZMFVNIFQYYCD-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.13
Rot. Bonds8

About N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide

N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide (PubChem CID 24676552) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide
PubChem CID24676552
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H28N2O3S/c1-20-14-15-23(31(29,30)26(2)3)18-24(20)25(28)27(19-22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h4-15,18H,16-17,19H2,1-3H3
InChIKeyXAZMFVNIFQYYCD-UHFFFAOYSA-N
XLogP4.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943587
N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884373
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230
N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide
CID 16560694
5-(dimethylsulfamoyl)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 8966841
phenyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 8765368
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 99144006
5-(dimethylsulfamoyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18170670
N-benzyl-N-(2-hydroxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107027966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide (CID 24676552) is N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide is Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is XAZMFVNIFQYYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-20-14-15-23(31(29,30)26(2)3)18-24(20)25(28)27(19-22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h4-15,18H,16-17,19H2,1-3H3.
What are the key properties of N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide?
N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 24676552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).