2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide

C11H17N3O3S — CID 79195981

IUPAC2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-8(7-13-2)11(15)14-9-3-5-10(6-4-9)18(12,16)17/h3-6,8,13H,7H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyAOTQIKYJWDQRGE-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.13
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide

2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 79195981) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
PubChem CID79195981
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-8(7-13-2)11(15)14-9-3-5-10(6-4-9)18(12,16)17/h3-6,8,13H,7H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyAOTQIKYJWDQRGE-UHFFFAOYSA-N
XLogP0.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
3-(3,4-dihydroxyphenyl)-2-methyl-N-(4-sulfamoylphenyl)propanamide
CID 84578792
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529
(2R)-N-(4-sulfamoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
CID 2455935
N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697481
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide (CID 79195981) is 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide is CNCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is AOTQIKYJWDQRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(7-13-2)11(15)14-9-3-5-10(6-4-9)18(12,16)17/h3-6,8,13H,7H2,1-2H3,(H,14,15)(H2,12,16,17).
What are the key properties of 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide?
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 271.34 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 79195981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).