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

C12H19N3O3S — CID 79797461

IUPAC2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C12H19N3O3S/c1-4-12(2,13)11(16)15-9-6-5-7-10(8-9)19(17,18)14-3/h5-8,14H,4,13H2,1-3H3,(H,15,16)
InChIKeyPOXXNCUXVFWVHN-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.66
Rot. Bonds5

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

2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide (PubChem CID 79797461) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
PubChem CID79797461
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C12H19N3O3S/c1-4-12(2,13)11(16)15-9-6-5-7-10(8-9)19(17,18)14-3/h5-8,14H,4,13H2,1-3H3,(H,15,16)
InChIKeyPOXXNCUXVFWVHN-UHFFFAOYSA-N
XLogP0.66
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 65264954
4,4-dimethyl-N-[3-(methylsulfamoyl)phenyl]-3-oxopentanamide
CID 88797658
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 79797513
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
2-amino-N-(3-cyanophenyl)-2-methylbutanamide
CID 79796861
3-(tert-butylamino)-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 60849734
(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
2-amino-2-methyl-N-(3-nitrophenyl)butanamide
CID 79797596
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119814954
2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
CID 65225091

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide (CID 79797461) is 2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide is CCC(C)(N)C(=O)Nc1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of 2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is POXXNCUXVFWVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-12(2,13)11(16)15-9-6-5-7-10(8-9)19(17,18)14-3/h5-8,14H,4,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide?
2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.66, 5 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-[3-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 79797461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).