N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide

C18H22FN3O3S — CID 109021026

IUPACN-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
SMILESNS(=O)(=O)c1ccc(CCNCCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O3S/c19-16-5-1-15(2-6-16)13-22-18(23)10-12-21-11-9-14-3-7-17(8-4-14)26(20,24)25/h1-8,21H,9-13H2,(H,22,23)(H2,20,24,25)
InChIKeyXGJXPCDJSOKZRW-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.31
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide

N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide (PubChem CID 109021026) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
PubChem CID109021026
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
SMILESNS(=O)(=O)c1ccc(CCNCCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O3S/c19-16-5-1-15(2-6-16)13-22-18(23)10-12-21-11-9-14-3-7-17(8-4-14)26(20,24)25/h1-8,21H,9-13H2,(H,22,23)(H2,20,24,25)
InChIKeyXGJXPCDJSOKZRW-UHFFFAOYSA-N
XLogP1.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.31
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-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
1-[(4-fluorophenyl)methyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111233396
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide (CID 109021026) is N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide is NS(=O)(=O)c1ccc(CCNCCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The InChIKey is XGJXPCDJSOKZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c19-16-5-1-15(2-6-16)13-22-18(23)10-12-21-11-9-14-3-7-17(8-4-14)26(20,24)25/h1-8,21H,9-13H2,(H,22,23)(H2,20,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide has a molecular weight of 379.46 g/mol, XLogP of 1.31, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide is sourced from PubChem (CID 109021026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).