2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide

C15H24N2O3S — CID 112995294

IUPAC2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CNS(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-5-6-11-16-15(18)12-17-21(19,20)14-9-7-13(4-2)8-10-14/h7-10,17H,3-6,11-12H2,1-2H3,(H,16,18)
InChIKeyZBHKUWLRJQQMAE-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.83
Rot. Bonds9

About 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide

2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide (PubChem CID 112995294) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
PubChem CID112995294
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CNS(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-5-6-11-16-15(18)12-17-21(19,20)14-9-7-13(4-2)8-10-14/h7-10,17H,3-6,11-12H2,1-2H3,(H,16,18)
InChIKeyZBHKUWLRJQQMAE-UHFFFAOYSA-N
XLogP1.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485
N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990709
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide
CID 46501725
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574101
N-[2-(3-chlorophenyl)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112995868
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126413358
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide?
The IUPAC name of 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide (CID 112995294) is 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide.
What is the SMILES notation for 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide?
The canonical SMILES for 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide is CCCCCNC(=O)CNS(=O)(=O)c1ccc(CC)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide?
The InChIKey is ZBHKUWLRJQQMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-5-6-11-16-15(18)12-17-21(19,20)14-9-7-13(4-2)8-10-14/h7-10,17H,3-6,11-12H2,1-2H3,(H,16,18).
What are the key properties of 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide?
2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide has a molecular weight of 312.44 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide is sourced from PubChem (CID 112995294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).