N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

C18H21FN2O4S — CID 17477773

IUPACN-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-2-25-13-3-12-20-18(22)14-4-8-16(9-5-14)21-26(23,24)17-10-6-15(19)7-11-17/h4-11,21H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyNJHPQJGMFBWDKI-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.78
Rot. Bonds9

About N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 17477773) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID17477773
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-2-25-13-3-12-20-18(22)14-4-8-16(9-5-14)21-26(23,24)17-10-6-15(19)7-11-17/h4-11,21H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyNJHPQJGMFBWDKI-UHFFFAOYSA-N
XLogP2.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide 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-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
CID 24540685
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate
CID 25494260
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 26444549
4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059868

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (CID 17477773) is N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is NJHPQJGMFBWDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-2-25-13-3-12-20-18(22)14-4-8-16(9-5-14)21-26(23,24)17-10-6-15(19)7-11-17/h4-11,21H,2-3,12-13H2,1H3,(H,20,22).
What are the key properties of N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 380.44 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 17477773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).