2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide

C21H28N4O4S — CID 92664179

IUPAC2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H28N4O4S/c1-15(2)14-22-21(27)18-8-6-7-9-19(18)23-20(26)16-10-12-17(13-11-16)25(5)30(28,29)24(3)4/h6-13,15H,14H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyNNSWSXWALVTIFZ-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.57
Rot. Bonds8

About 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide

2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 92664179) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID92664179
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H28N4O4S/c1-15(2)14-22-21(27)18-8-6-7-9-19(18)23-20(26)16-10-12-17(13-11-16)25(5)30(28,29)24(3)4/h6-13,15H,14H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyNNSWSXWALVTIFZ-UHFFFAOYSA-N
XLogP2.57
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 4143005
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
methyl 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]benzoate
CID 92664116
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
2-[[4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1316910
4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide
CID 53283277
[4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1369781
2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 126118795
4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 92664146
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide (CID 92664179) is 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is NNSWSXWALVTIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-15(2)14-22-21(27)18-8-6-7-9-19(18)23-20(26)16-10-12-17(13-11-16)25(5)30(28,29)24(3)4/h6-13,15H,14H2,1-5H3,(H,22,27)(H,23,26).
What are the key properties of 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide?
2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 432.55 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 92664179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).