2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide

C11H18N4O3S — CID 82907245

IUPAC2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H18N4O3S/c1-3-14-11(16)7(2)15-10-6-8(19(13,17)18)4-5-9(10)12/h4-7,15H,3,12H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyZELKFGMLKPFERM-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.15
Rot. Bonds5

About 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide

2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide (PubChem CID 82907245) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
PubChem CID82907245
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H18N4O3S/c1-3-14-11(16)7(2)15-10-6-8(19(13,17)18)4-5-9(10)12/h4-7,15H,3,12H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyZELKFGMLKPFERM-UHFFFAOYSA-N
XLogP-0.15
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
CID 61476320
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
CID 63360672
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
CID 82908006
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
4-amino-3-(octan-4-ylamino)benzenesulfonamide
CID 106022408

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide?
The IUPAC name of 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide (CID 82907245) is 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide?
The InChIKey is ZELKFGMLKPFERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-3-14-11(16)7(2)15-10-6-8(19(13,17)18)4-5-9(10)12/h4-7,15H,3,12H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide?
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide has a molecular weight of 286.36 g/mol, XLogP of -0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide is sourced from PubChem (CID 82907245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).