2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide

C22H17FN2OS — CID 158874074

IUPAC2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide
SMILESCc1cc2c(cc1Sc1cccc(NC(=O)c3ccccc3F)c1)C=NC2
InChIInChI=1S/C22H17FN2OS/c1-14-9-15-12-24-13-16(15)10-21(14)27-18-6-4-5-17(11-18)25-22(26)19-7-2-3-8-20(19)23/h2-11,13H,12H2,1H3,(H,25,26)
InChIKeyWJYLEVBKFWHKEP-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.47
Rot. Bonds4

About 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide

2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide (PubChem CID 158874074) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide
PubChem CID158874074
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC Name2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide
SMILESCc1cc2c(cc1Sc1cccc(NC(=O)c3ccccc3F)c1)C=NC2
InChIInChI=1S/C22H17FN2OS/c1-14-9-15-12-24-13-16(15)10-21(14)27-18-6-4-5-17(11-18)25-22(26)19-7-2-3-8-20(19)23/h2-11,13H,12H2,1H3,(H,25,26)
InChIKeyWJYLEVBKFWHKEP-UHFFFAOYSA-N
XLogP5.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]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

3-fluoro-N-[3-[(6-methyl-1H-indazol-5-yl)sulfanyl]phenyl]pyridine-4-carboxamide
CID 54596195
N-[3-[2-(5-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904038
2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18913046
2-fluoro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913014
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
3-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid
CID 18903876
2-fluoro-N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18904068
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904055
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
N-[3-[2-(4-carbamoylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904090
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide (CID 158874074) is 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide is Cc1cc2c(cc1Sc1cccc(NC(=O)c3ccccc3F)c1)C=NC2.
What is the InChIKey of 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide?
The InChIKey is WJYLEVBKFWHKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c1-14-9-15-12-24-13-16(15)10-21(14)27-18-6-4-5-17(11-18)25-22(26)19-7-2-3-8-20(19)23/h2-11,13H,12H2,1H3,(H,25,26).
What are the key properties of 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide?
2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide is sourced from PubChem (CID 158874074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).