2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide

C12H19N3O3S — CID 43387793

IUPAC2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H19N3O3S/c1-14(2)12(16)9-13-10-5-7-11(8-6-10)19(17,18)15(3)4/h5-8,13H,9H2,1-4H3
InChIKeyPZHCXYYPBXHKJE-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.44
Rot. Bonds5

About 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide

2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide (PubChem CID 43387793) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
PubChem CID43387793
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H19N3O3S/c1-14(2)12(16)9-13-10-5-7-11(8-6-10)19(17,18)15(3)4/h5-8,13H,9H2,1-4H3
InChIKeyPZHCXYYPBXHKJE-UHFFFAOYSA-N
XLogP0.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide
CID 106145518
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 28579520
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874
N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide
CID 126626051
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide
CID 71997880
N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227038

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide (CID 43387793) is 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide?
The InChIKey is PZHCXYYPBXHKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-14(2)12(16)9-13-10-5-7-11(8-6-10)19(17,18)15(3)4/h5-8,13H,9H2,1-4H3.
What are the key properties of 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide?
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 43387793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).