N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide

C23H23FN2O3S — CID 25161691

IUPACN-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NCc2ccccc2F)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-18-11-13-21(14-12-18)30(28,29)26(20-8-3-2-4-9-20)16-15-23(27)25-17-19-7-5-6-10-22(19)24/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyYRWGFDMUIAEPIL-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.04
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide

N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide (PubChem CID 25161691) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
PubChem CID25161691
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NCc2ccccc2F)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-18-11-13-21(14-12-18)30(28,29)26(20-8-3-2-4-9-20)16-15-23(27)25-17-19-7-5-6-10-22(19)24/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyYRWGFDMUIAEPIL-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide 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-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
(2S)-N-(4-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2474404
N-(3-acetamidophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2482626
N-{4-[(6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}acetamide
CID 2931012
3-(benzenesulfonamido)-N-phenylpropanamide
CID 2978041
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide (CID 25161691) is N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide is Cc1ccc(S(=O)(=O)N(CCC(=O)NCc2ccccc2F)c2ccccc2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
The InChIKey is YRWGFDMUIAEPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-18-11-13-21(14-12-18)30(28,29)26(20-8-3-2-4-9-20)16-15-23(27)25-17-19-7-5-6-10-22(19)24/h2-14H,15-17H2,1H3,(H,25,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide?
N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide has a molecular weight of 426.51 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide is sourced from PubChem (CID 25161691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).