N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide

C18H30N4O3S — CID 113109842

IUPACN-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C18H30N4O3S/c1-2-3-4-10-20-18(23)22-14-12-21(13-15-22)11-9-16-5-7-17(8-6-16)26(19,24)25/h5-8H,2-4,9-15H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyXXKNSCMEDGCEND-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.39
Rot. Bonds8

About N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide

N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109842) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109842
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC NameN-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C18H30N4O3S/c1-2-3-4-10-20-18(23)22-14-12-21(13-15-22)11-9-16-5-7-17(8-6-16)26(19,24)25/h5-8H,2-4,9-15H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyXXKNSCMEDGCEND-UHFFFAOYSA-N
XLogP1.39
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113103670
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108989656
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113105545
4-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 113074464
4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 170862464
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
2-methyl-1-nonyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111385944
4-nonylbenzenesulfonamide
CID 19845394

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide (CID 113109842) is N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide is CCCCCNC(=O)N1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is XXKNSCMEDGCEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-2-3-4-10-20-18(23)22-14-12-21(13-15-22)11-9-16-5-7-17(8-6-16)26(19,24)25/h5-8H,2-4,9-15H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide?
N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).