2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide

C12H20N4O3S — CID 82900151

IUPAC2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C12H20N4O3S/c1-14-12(17)8-16(4)11-7-9(5-6-10(11)13)20(18,19)15(2)3/h5-7H,8,13H2,1-4H3,(H,14,17)
InChIKeyKMSOSOPAAPICBY-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.30
Rot. Bonds5

About 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide

2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide (PubChem CID 82900151) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide
PubChem CID82900151
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C12H20N4O3S/c1-14-12(17)8-16(4)11-7-9(5-6-10(11)13)20(18,19)15(2)3/h5-7H,8,13H2,1-4H3,(H,14,17)
InChIKeyKMSOSOPAAPICBY-UHFFFAOYSA-N
XLogP-0.30
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide
CID 43518183
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899326
4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 82898644
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 3024163
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 81132412
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide
CID 107197912
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide (CID 82900151) is 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide is CNC(=O)CN(C)c1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide?
The InChIKey is KMSOSOPAAPICBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-14-12(17)8-16(4)11-7-9(5-6-10(11)13)20(18,19)15(2)3/h5-7H,8,13H2,1-4H3,(H,14,17).
What are the key properties of 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide?
2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide has a molecular weight of 300.38 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide is sourced from PubChem (CID 82900151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).