N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide

C20H25N3O4S — CID 56518335

IUPACN-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C(N)=O)c(C)c2)c1
InChIInChI=1S/C20H25N3O4S/c1-5-23(6-2)28(26,27)16-9-7-13(3)18(12-16)20(25)22-15-8-10-17(19(21)24)14(4)11-15/h7-12H,5-6H2,1-4H3,(H2,21,24)(H,22,25)
InChIKeyGEWFTPMIXXYSJK-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.69
Rot. Bonds7

About N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide

N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 56518335) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID56518335
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C(N)=O)c(C)c2)c1
InChIInChI=1S/C20H25N3O4S/c1-5-23(6-2)28(26,27)16-9-7-13(3)18(12-16)20(25)22-15-8-10-17(19(21)24)14(4)11-15/h7-12H,5-6H2,1-4H3,(H2,21,24)(H,22,25)
InChIKeyGEWFTPMIXXYSJK-UHFFFAOYSA-N
XLogP2.69
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 39171138
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56527434
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46550803
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate
CID 55654948
5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811834
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide (CID 56518335) is N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C(N)=O)c(C)c2)c1.
What is the InChIKey of N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is GEWFTPMIXXYSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-5-23(6-2)28(26,27)16-9-7-13(3)18(12-16)20(25)22-15-8-10-17(19(21)24)14(4)11-15/h7-12H,5-6H2,1-4H3,(H2,21,24)(H,22,25).
What are the key properties of N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 56518335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).