2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide

C12H19N3O3S — CID 61265605

IUPAC2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C(C)(C)N)ccc1C
InChIInChI=1S/C12H19N3O3S/c1-8-5-6-9(15-11(16)12(2,3)13)7-10(8)19(17,18)14-4/h5-7,14H,13H2,1-4H3,(H,15,16)
InChIKeyYDSSDWWWWGAXPH-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.58
Rot. Bonds4

About 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide

2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide (PubChem CID 61265605) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
PubChem CID61265605
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C(C)(C)N)ccc1C
InChIInChI=1S/C12H19N3O3S/c1-8-5-6-9(15-11(16)12(2,3)13)7-10(8)19(17,18)14-4/h5-7,14H,13H2,1-4H3,(H,15,16)
InChIKeyYDSSDWWWWGAXPH-UHFFFAOYSA-N
XLogP0.58
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 55245402
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
5-ethyl-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9479381
3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 106111636
(3R)-3-ethyl-3-methyl-5-[4-methyl-3-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 8893593
2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852863
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide (CID 61265605) is 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1cc(NC(=O)C(C)(C)N)ccc1C.
What is the InChIKey of 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is YDSSDWWWWGAXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-5-6-9(15-11(16)12(2,3)13)7-10(8)19(17,18)14-4/h5-7,14H,13H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 61265605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).