N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide

C17H20N2O3S — CID 18144899

IUPACN-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S/c1-12-9-10-13(2)15(11-12)18-17(20)14-7-5-6-8-16(14)19(3)23(4,21)22/h5-11H,1-4H3,(H,18,20)
InChIKeyZTCPNOXYWJQDNS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.95
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide

N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 18144899) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID18144899
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S/c1-12-9-10-13(2)15(11-12)18-17(20)14-7-5-6-8-16(14)19(3)23(4,21)22/h5-11H,1-4H3,(H,18,20)
InChIKeyZTCPNOXYWJQDNS-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50944671
N-(2,4-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947524
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 51336180
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 126262288
2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 27001436
2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 1019179
N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 958648
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 51336376
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001301
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide (CID 18144899) is N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide is Cc1ccc(C)c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is ZTCPNOXYWJQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-9-10-13(2)15(11-12)18-17(20)14-7-5-6-8-16(14)19(3)23(4,21)22/h5-11H,1-4H3,(H,18,20).
What are the key properties of N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 18144899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).