2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide

C13H21N3O3S — CID 61479924

IUPAC2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O3S/c1-5-14-13(17)10(2)15-11-8-6-7-9-12(11)20(18,19)16(3)4/h6-10,15H,5H2,1-4H3,(H,14,17)
InChIKeyINOWQBPGRDZHJJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.87
Rot. Bonds6

About 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide

2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide (PubChem CID 61479924) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide
PubChem CID61479924
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O3S/c1-5-14-13(17)10(2)15-11-8-6-7-9-12(11)20(18,19)16(3)4/h6-10,15H,5H2,1-4H3,(H,14,17)
InChIKeyINOWQBPGRDZHJJ-UHFFFAOYSA-N
XLogP0.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanoanilino)-N-ethylpropanamide
CID 43086100
2-(2-ethylsulfonylanilino)-N-methylpropanamide
CID 54950934
2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 62119140
2-(but-3-yn-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 114417934
N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide
CID 133298500
2-[2-amino-3-(dimethylsulfamoyl)anilino]propanamide
CID 107115830
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-(5-methylhexan-2-yl)guanidine
CID 111203938
2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide
CID 60679283
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 107849381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide?
The IUPAC name of 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide (CID 61479924) is 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide?
The InChIKey is INOWQBPGRDZHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-5-14-13(17)10(2)15-11-8-6-7-9-12(11)20(18,19)16(3)4/h6-10,15H,5H2,1-4H3,(H,14,17).
What are the key properties of 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide?
2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide is sourced from PubChem (CID 61479924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).