3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide

C13H21N3O3S — CID 106095517

IUPAC3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C13H21N3O3S/c1-4-9-5-6-10(14)7-11(9)20(18,19)16-13(2,3)8-12(15)17/h5-7,16H,4,8,14H2,1-3H3,(H2,15,17)
InChIKeyUUKYIBZNCFNRKF-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.76
Rot. Bonds6

About 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide

3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 106095517) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
PubChem CID106095517
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C13H21N3O3S/c1-4-9-5-6-10(14)7-11(9)20(18,19)16-13(2,3)8-12(15)17/h5-7,16H,4,8,14H2,1-3H3,(H2,15,17)
InChIKeyUUKYIBZNCFNRKF-UHFFFAOYSA-N
XLogP0.76
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
3-[[4-(aminomethyl)-3-chlorophenyl]sulfonylamino]-3-methylbutanamide
CID 106096174
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567663
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
3-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095460
5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 106140110
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide
CID 106098324
3-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095532

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide (CID 106095517) is 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide is CCc1ccc(N)cc1S(=O)(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is UUKYIBZNCFNRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-9-5-6-10(14)7-11(9)20(18,19)16-13(2,3)8-12(15)17/h5-7,16H,4,8,14H2,1-3H3,(H2,15,17).
What are the key properties of 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide?
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 299.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106095517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).