N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide

C17H20N2O3S — CID 113093819

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H20N2O3S/c1-12-9-10-13(2)17(11-12)23(21,22)18-15-7-5-6-8-16(15)19(4)14(3)20/h5-11,18H,1-4H3
InChIKeyDWJRLFRCOKRUPZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.09
Rot. Bonds4

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 113093819) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID113093819
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H20N2O3S/c1-12-9-10-13(2)17(11-12)23(21,22)18-15-7-5-6-8-16(15)19(4)14(3)20/h5-11,18H,1-4H3
InChIKeyDWJRLFRCOKRUPZ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093827
1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615685
5-amino-N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 106759348
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277
4-[benzyl(methyl)amino]-3-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid
CID 50767116
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007
N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 106831940

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide (CID 113093819) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is DWJRLFRCOKRUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-9-10-13(2)17(11-12)23(21,22)18-15-7-5-6-8-16(15)19(4)14(3)20/h5-11,18H,1-4H3.
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 332.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 113093819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).