3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide

C12H20N4O3S — CID 106914323

IUPAC3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C12H20N4O3S/c1-8(12(17)15-2)7-16(3)11-5-4-9(6-10(11)13)20(14,18)19/h4-6,8H,7,13H2,1-3H3,(H,15,17)(H2,14,18,19)
InChIKeyOVDDMSYZGRNMQW-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.27
Rot. Bonds5

About 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide

3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide (PubChem CID 106914323) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide
PubChem CID106914323
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C12H20N4O3S/c1-8(12(17)15-2)7-16(3)11-5-4-9(6-10(11)13)20(14,18)19/h4-6,8H,7,13H2,1-3H3,(H,15,17)(H2,14,18,19)
InChIKeyOVDDMSYZGRNMQW-UHFFFAOYSA-N
XLogP-0.27
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.27
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

3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
3-amino-4-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 61429947
3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
CID 106914273
3-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914097
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
3-amino-4-[3-hydroxypropyl(propan-2-yl)amino]benzenesulfonamide
CID 54993716
2-amino-3-fluoro-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106916094
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
3-[2-chloro-4-(hydroxymethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916419
2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid
CID 43296175
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
CID 43264692
1-N-methyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382637

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide?
The IUPAC name of 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide (CID 106914323) is 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide?
The InChIKey is OVDDMSYZGRNMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-8(12(17)15-2)7-16(3)11-5-4-9(6-10(11)13)20(14,18)19/h4-6,8H,7,13H2,1-3H3,(H,15,17)(H2,14,18,19).
What are the key properties of 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide?
3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide has a molecular weight of 300.38 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide is sourced from PubChem (CID 106914323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).