2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide

C12H19N3O3S — CID 61476320

IUPAC2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C12H19N3O3S/c1-4-14-12(16)8(2)15-11-6-5-9(7-10(11)13)19(3,17)18/h5-8,15H,4,13H2,1-3H3,(H,14,16)
InChIKeySBNWCHJCMDBDSR-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.61
Rot. Bonds5

About 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide

2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide (PubChem CID 61476320) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
PubChem CID61476320
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C12H19N3O3S/c1-4-14-12(16)8(2)15-11-6-5-9(7-10(11)13)19(3,17)18/h5-8,15H,4,13H2,1-3H3,(H,14,16)
InChIKeySBNWCHJCMDBDSR-UHFFFAOYSA-N
XLogP0.61
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
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-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
4-methylsulfonyl-1-N-(1-methylsulfonylpropan-2-yl)benzene-1,2-diamine
CID 64630594
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
2-amino-N-ethyl-4-methylsulfonylbenzamide
CID 166594131
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61068703
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
CID 63360672
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide
CID 82846047

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide?
The IUPAC name of 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide (CID 61476320) is 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide?
The InChIKey is SBNWCHJCMDBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-14-12(16)8(2)15-11-6-5-9(7-10(11)13)19(3,17)18/h5-8,15H,4,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide?
2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide has a molecular weight of 285.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide is sourced from PubChem (CID 61476320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).