2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide

C12H20N4O3S — CID 104925729

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H20N4O3S/c1-5-16(4)12(17)9-14-11-7-6-10(8-13-11)20(18,19)15(2)3/h6-8H,5,9H2,1-4H3,(H,13,14)
InChIKeyIVVJQYVKNNWRBO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.22
Rot. Bonds6

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

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide (PubChem CID 104925729) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
PubChem CID104925729
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H20N4O3S/c1-5-16(4)12(17)9-14-11-7-6-10(8-13-11)20(18,19)15(2)3/h6-8H,5,9H2,1-4H3,(H,13,14)
InChIKeyIVVJQYVKNNWRBO-UHFFFAOYSA-N
XLogP0.22
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103270036
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103340951
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103748498
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide (CID 104925729) is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide?
The InChIKey is IVVJQYVKNNWRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-5-16(4)12(17)9-14-11-7-6-10(8-13-11)20(18,19)15(2)3/h6-8H,5,9H2,1-4H3,(H,13,14).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide?
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide has a molecular weight of 300.38 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104925729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).