N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide

C14H23N3O3S — CID 100784998

IUPACN-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)CN(C)S(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C14H23N3O3S/c1-11-7-8-13(9-12(11)2)17(6)14(18)10-16(5)21(19,20)15(3)4/h7-9H,10H2,1-6H3
InChIKeyBKSCGVHBZLUOGV-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.00
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide

N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide (PubChem CID 100784998) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide
PubChem CID100784998
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)CN(C)S(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C14H23N3O3S/c1-11-7-8-13(9-12(11)2)17(6)14(18)10-16(5)21(19,20)15(3)4/h7-9H,10H2,1-6H3
InChIKeyBKSCGVHBZLUOGV-UHFFFAOYSA-N
XLogP1.00
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 100794276
N-(3,4-dimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176241
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 100794874
N-(3,4-dimethylphenyl)-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119741824
ethyl 3-oxo-3-(N,3,4-trimethylanilino)propanoate
CID 115138487
2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 123790162
N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100795039
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 100790216
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 100793562
N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255244

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide (CID 100784998) is N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide is Cc1ccc(N(C)C(=O)CN(C)S(=O)(=O)N(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide?
The InChIKey is BKSCGVHBZLUOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-7-8-13(9-12(11)2)17(6)14(18)10-16(5)21(19,20)15(3)4/h7-9H,10H2,1-6H3.
What are the key properties of N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide?
N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 100784998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).