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

C10H16N4O3S — CID 82907013

IUPAC2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C10H16N4O3S/c1-6(10(15)13-2)14-9-5-7(18(12,16)17)3-4-8(9)11/h3-6,14H,11H2,1-2H3,(H,13,15)(H2,12,16,17)
InChIKeyMONRYHAWQDJGIO-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.54
Rot. Bonds4

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

2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide (PubChem CID 82907013) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
PubChem CID82907013
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C10H16N4O3S/c1-6(10(15)13-2)14-9-5-7(18(12,16)17)3-4-8(9)11/h3-6,14H,11H2,1-2H3,(H,13,15)(H2,12,16,17)
InChIKeyMONRYHAWQDJGIO-UHFFFAOYSA-N
XLogP-0.54
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.54
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-ethylpropanamide
CID 82907245
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
2-(2-chloro-5-sulfamoylanilino)propanoic acid
CID 66174535
4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
CID 82900050
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
CID 82908006
4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide
CID 82898469
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
CID 82899595
4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 82907089

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide?
The IUPAC name of 2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide (CID 82907013) is 2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide is CNC(=O)C(C)Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide?
The InChIKey is MONRYHAWQDJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-6(10(15)13-2)14-9-5-7(18(12,16)17)3-4-8(9)11/h3-6,14H,11H2,1-2H3,(H,13,15)(H2,12,16,17).
What are the key properties of 2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide?
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide has a molecular weight of 272.33 g/mol, XLogP of -0.54, 4 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-methylpropanamide is sourced from PubChem (CID 82907013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).