5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide

C13H21N3O3S — CID 106233687

IUPAC5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C13H21N3O3S/c1-2-10-6-7-11(14)9-12(10)20(18,19)16-8-4-3-5-13(15)17/h6-7,9,16H,2-5,8,14H2,1H3,(H2,15,17)
InChIKeyXJLLNXCLUQUZCQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.77
Rot. Bonds8

About 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide

5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide (PubChem CID 106233687) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
PubChem CID106233687
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C13H21N3O3S/c1-2-10-6-7-11(14)9-12(10)20(18,19)16-8-4-3-5-13(15)17/h6-7,9,16H,2-5,8,14H2,1H3,(H2,15,17)
InChIKeyXJLLNXCLUQUZCQ-UHFFFAOYSA-N
XLogP0.77
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
methyl 4-amino-2-[(4-amino-4-oxobutyl)sulfamoyl]benzoate
CID 102931018
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
CID 65202243
2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567663
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
5-amino-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 106140110
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide?
The IUPAC name of 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide (CID 106233687) is 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide is CCc1ccc(N)cc1S(=O)(=O)NCCCCC(N)=O.
What is the InChIKey of 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide?
The InChIKey is XJLLNXCLUQUZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-10-6-7-11(14)9-12(10)20(18,19)16-8-4-3-5-13(15)17/h6-7,9,16H,2-5,8,14H2,1H3,(H2,15,17).
What are the key properties of 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide?
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide has a molecular weight of 299.40 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 106233687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).