3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide

C20H21FN6O3S — CID 55812028

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1
InChIInChI=1S/C20H21FN6O3S/c1-3-26(4-2)31(29,30)17-9-5-15(6-10-17)7-12-20(28)23-19-13-16(8-11-18(19)21)27-14-22-24-25-27/h5-14H,3-4H2,1-2H3,(H,23,28)
InChIKeyAEQYTJDZXKTYOE-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.48
Rot. Bonds8

About 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide

3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide (PubChem CID 55812028) has the molecular formula C20H21FN6O3S and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
PubChem CID55812028
Molecular FormulaC20H21FN6O3S
Molecular Weight444.49 g/mol
Exact Mass444.14
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1
InChIInChI=1S/C20H21FN6O3S/c1-3-26(4-2)31(29,30)17-9-5-15(6-10-17)7-12-20(28)23-19-13-16(8-11-18(19)21)27-14-22-24-25-27/h5-14H,3-4H2,1-2H3,(H,23,28)
InChIKeyAEQYTJDZXKTYOE-UHFFFAOYSA-N
XLogP2.48
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide 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

3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55992377
3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55813949
3-[[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]amino]-5-fluoro-4-methylbenzamide
CID 46486254
3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55814140
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
3-[4-(diethylsulfamoyl)phenyl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618954
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
(E)-3-(4-methylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 17011477
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 55811905
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide (CID 55812028) is 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is AEQYTJDZXKTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3S/c1-3-26(4-2)31(29,30)17-9-5-15(6-10-17)7-12-20(28)23-19-13-16(8-11-18(19)21)27-14-22-24-25-27/h5-14H,3-4H2,1-2H3,(H,23,28).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 444.49 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 55812028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).