N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide

C15H24N2O3S — CID 17473598

IUPACN-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
SMILESCCCCCCNS(=O)(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-4-5-6-11-17-21(19,20)15-9-7-14(8-10-15)12-16-13(2)18/h7-10,17H,3-6,11-12H2,1-2H3,(H,16,18)
InChIKeyALZOZXCZYDKCNR-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.18
Rot. Bonds9

About N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide

N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 17473598) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
PubChem CID17473598
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
SMILESCCCCCCNS(=O)(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-4-5-6-11-17-21(19,20)15-9-7-14(8-10-15)12-16-13(2)18/h7-10,17H,3-6,11-12H2,1-2H3,(H,16,18)
InChIKeyALZOZXCZYDKCNR-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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

4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
CID 112995294
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(cyanomethyl)-N-hexylbenzenesulfonamide
CID 79195889
N-tridecylbenzenesulfonamide
CID 3514704
1-[11-(benzenesulfonamido)undec-5-enyl]-3-pentylurea
CID 77140945
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759021

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide (CID 17473598) is N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide is CCCCCCNS(=O)(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is ALZOZXCZYDKCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-4-5-6-11-17-21(19,20)15-9-7-14(8-10-15)12-16-13(2)18/h7-10,17H,3-6,11-12H2,1-2H3,(H,16,18).
What are the key properties of N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide?
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 312.44 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17473598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).