N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide

C20H26N2O3S — CID 7929076

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1C
InChIInChI=1S/C20H26N2O3S/c1-6-22(7-2)26(24,25)19-13-17(11-10-16(19)5)21-20(23)18-12-14(3)8-9-15(18)4/h8-13H,6-7H2,1-5H3,(H,21,23)
InChIKeySXJFYMZZWJDLEX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.89
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide (PubChem CID 7929076) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
PubChem CID7929076
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1C
InChIInChI=1S/C20H26N2O3S/c1-6-22(7-2)26(24,25)19-13-17(11-10-16(19)5)21-20(23)18-12-14(3)8-9-15(18)4/h8-13H,6-7H2,1-5H3,(H,21,23)
InChIKeySXJFYMZZWJDLEX-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 42966145
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide (CID 7929076) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide?
The InChIKey is SXJFYMZZWJDLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-6-22(7-2)26(24,25)19-13-17(11-10-16(19)5)21-20(23)18-12-14(3)8-9-15(18)4/h8-13H,6-7H2,1-5H3,(H,21,23).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 7929076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).