N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide

C20H16FNOS — CID 3731209

IUPACN-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H16FNOS/c21-17-8-12-19(13-9-17)24-14-15-6-10-18(11-7-15)22-20(23)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23)
InChIKeyPAVAWOVIJLKWMO-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.37
Rot. Bonds5

About N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide

N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide (PubChem CID 3731209) has the molecular formula C20H16FNOS and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
PubChem CID3731209
Molecular FormulaC20H16FNOS
Molecular Weight337.42 g/mol
Exact Mass337.09
IUPAC NameN-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H16FNOS/c21-17-8-12-19(13-9-17)24-14-15-6-10-18(11-7-15)22-20(23)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23)
InChIKeyPAVAWOVIJLKWMO-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]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-benzamidophenyl) 3-(4-fluorophenyl)sulfanylpropanoate
CID 35611048
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2899761
4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide
CID 112845769
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide
CID 3754740
2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2233430
N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
CID 11382379
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
CID 22783049
N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2284612
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide (CID 3731209) is N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide is O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide?
The InChIKey is PAVAWOVIJLKWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNOS/c21-17-8-12-19(13-9-17)24-14-15-6-10-18(11-7-15)22-20(23)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23).
What are the key properties of N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide?
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide is sourced from PubChem (CID 3731209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).