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

C20H25N3O4S — CID 4143005

IUPAC2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)13-21-20(25)17-7-5-6-8-18(17)22-19(24)15-9-11-16(12-10-15)23(3)28(4,26)27/h5-12,14H,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyUZRSZTINCZPERB-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.72
Rot. Bonds7

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

2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 4143005) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID4143005
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)13-21-20(25)17-7-5-6-8-18(17)22-19(24)15-9-11-16(12-10-15)23(3)28(4,26)27/h5-12,14H,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyUZRSZTINCZPERB-UHFFFAOYSA-N
XLogP2.72
TPSA95.58 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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92664179
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
2-[[4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1316910
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 126118795
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
[4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1369781
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide (CID 4143005) is 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is UZRSZTINCZPERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14(2)13-21-20(25)17-7-5-6-8-18(17)22-19(24)15-9-11-16(12-10-15)23(3)28(4,26)27/h5-12,14H,13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide?
2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 4143005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).