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

C14H23N3O3S — CID 65264954

IUPAC3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(C)(C)C(C)(C)N)c1
InChIInChI=1S/C14H23N3O3S/c1-13(2,14(3,4)15)12(18)17-10-7-6-8-11(9-10)21(19,20)16-5/h6-9,16H,15H2,1-5H3,(H,17,18)
InChIKeySDLNBNWNFYODQF-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.30
Rot. Bonds5

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

3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide (PubChem CID 65264954) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide
PubChem CID65264954
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(C)(C)C(C)(C)N)c1
InChIInChI=1S/C14H23N3O3S/c1-13(2,14(3,4)15)12(18)17-10-7-6-8-11(9-10)21(19,20)16-5/h6-9,16H,15H2,1-5H3,(H,17,18)
InChIKeySDLNBNWNFYODQF-UHFFFAOYSA-N
XLogP1.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
CID 65264374
2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 79797461
4,4-dimethyl-N-[3-(methylsulfamoyl)phenyl]-3-oxopentanamide
CID 88797658
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119293956
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
3-(tert-butylamino)-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 60849734
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
2-methyl-2-(methylamino)-N-(3-sulfamoylphenyl)propanamide
CID 62834489
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide (CID 65264954) is 3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide is CNS(=O)(=O)c1cccc(NC(=O)C(C)(C)C(C)(C)N)c1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is SDLNBNWNFYODQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-13(2,14(3,4)15)12(18)17-10-7-6-8-11(9-10)21(19,20)16-5/h6-9,16H,15H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide?
3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 313.42 g/mol, XLogP of 1.30, 5 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-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 65264954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).