N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide

C23H18FN3O4S2 — CID 11784986

IUPACN-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide
SMILESCc1ccccc1Oc1nnc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)s1
InChIInChI=1S/C23H18FN3O4S2/c1-15-4-2-3-5-20(15)31-22-26-27-23(32-22)33(29,30)14-16-6-8-17(9-7-16)21(28)25-19-12-10-18(24)11-13-19/h2-13H,14H2,1H3,(H,25,28)
InChIKeyUKEXMFACTNAXTR-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.00
Rot. Bonds7

About N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide

N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide (PubChem CID 11784986) has the molecular formula C23H18FN3O4S2 and a molecular weight of 483.55 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide
PubChem CID11784986
Molecular FormulaC23H18FN3O4S2
Molecular Weight483.55 g/mol
Exact Mass483.07
IUPAC NameN-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide
SMILESCc1ccccc1Oc1nnc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)s1
InChIInChI=1S/C23H18FN3O4S2/c1-15-4-2-3-5-20(15)31-22-26-27-23(32-22)33(29,30)14-16-6-8-17(9-7-16)21(28)25-19-12-10-18(24)11-13-19/h2-13H,14H2,1H3,(H,25,28)
InChIKeyUKEXMFACTNAXTR-UHFFFAOYSA-N
XLogP5.00
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]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

4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide
CID 11179271
4-fluoro-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24632207
4-fluoro-N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17012985
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
(2S)-2-(4-fluorophenoxy)-N-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 27505737
2-benzylsulfonyl-N-(4-fluorophenyl)benzamide
CID 6457202
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide (CID 11784986) is N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide is Cc1ccccc1Oc1nnc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)s1.
What is the InChIKey of N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide?
The InChIKey is UKEXMFACTNAXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4S2/c1-15-4-2-3-5-20(15)31-22-26-27-23(32-22)33(29,30)14-16-6-8-17(9-7-16)21(28)25-19-12-10-18(24)11-13-19/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide?
N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide has a molecular weight of 483.55 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide is sourced from PubChem (CID 11784986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).