3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide

C13H21N3O3S — CID 65264374

IUPAC3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O3S/c1-12(2,13(3,4)14)11(17)16-9-6-5-7-10(8-9)20(15,18)19/h5-8H,14H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyUBAHGBUXTDTSDN-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.04
Rot. Bonds4

About 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide

3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide (PubChem CID 65264374) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
PubChem CID65264374
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O3S/c1-12(2,13(3,4)14)11(17)16-9-6-5-7-10(8-9)20(15,18)19/h5-8H,14H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyUBAHGBUXTDTSDN-UHFFFAOYSA-N
XLogP1.04
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.04
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
2-methyl-2-(methylamino)-N-(3-sulfamoylphenyl)propanamide
CID 62834489
2-(ethylamino)-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55121317
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 61266531
5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 25263014
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide (CID 65264374) is 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide is CC(C)(N)C(C)(C)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide?
The InChIKey is UBAHGBUXTDTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-12(2,13(3,4)14)11(17)16-9-6-5-7-10(8-9)20(15,18)19/h5-8H,14H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide?
3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide has a molecular weight of 299.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 65264374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).