N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C15H25N3O3S — CID 109002541

IUPACN-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCCCCCNC(=O)CNCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N3O3S/c1-2-3-4-10-18-15(19)12-17-11-9-13-5-7-14(8-6-13)22(16,20)21/h5-8,17H,2-4,9-12H2,1H3,(H,18,19)(H2,16,20,21)
InChIKeyFQUXHMZVLLXVMT-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.77
Rot. Bonds10

About N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 109002541) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID109002541
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCCCCCNC(=O)CNCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N3O3S/c1-2-3-4-10-18-15(19)12-17-11-9-13-5-7-14(8-6-13)22(16,20)21/h5-8,17H,2-4,9-12H2,1H3,(H,18,19)(H2,16,20,21)
InChIKeyFQUXHMZVLLXVMT-UHFFFAOYSA-N
XLogP0.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 17066812
2-methyl-1-nonyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111385944
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113109842
2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
CID 112995294
2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113148292
N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002567
4-nonylbenzenesulfonamide
CID 19845394

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 109002541) is N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is CCCCCNC(=O)CNCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is FQUXHMZVLLXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-2-3-4-10-18-15(19)12-17-11-9-13-5-7-14(8-6-13)22(16,20)21/h5-8,17H,2-4,9-12H2,1H3,(H,18,19)(H2,16,20,21).
What are the key properties of N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 327.45 g/mol, XLogP of 0.77, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 109002541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).