2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide

C22H19FN2O2S — CID 19630426

IUPAC2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccccc1NC(=O)CSc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H19FN2O2S/c1-15-6-2-5-9-20(15)25-21(26)14-28-17-12-10-16(11-13-17)24-22(27)18-7-3-4-8-19(18)23/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyXDALXIRJSZGHHX-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.12
Rot. Bonds6

About 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide

2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 19630426) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID19630426
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccccc1NC(=O)CSc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H19FN2O2S/c1-15-6-2-5-9-20(15)25-21(26)14-28-17-12-10-16(11-13-17)24-22(27)18-7-3-4-8-19(18)23/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyXDALXIRJSZGHHX-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[4-(Methylthio)anilino]-oxomethyl]amino]benzamide
CID 307712
N-[2-(methylsulfanyl)phenyl]benzamide
CID 307228
o-Terephthalotoluidide
CID 248375
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
methyl N-(4-phenacylsulfanylphenyl)carbamate
CID 854467
N-[3-[(4-fluorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 960351
N-(2,6-dimethylphenyl)-2-(methylthio)benzamide
CID 961861
Thiophene-2-carboxylic acid [3-(4-fluoro-benzoylamino)-4-methyl-phenyl]-amide
CID 1432986
N-[4-(difluoromethylsulfanyl)phenyl]-4-fluorobenzamide
CID 1548689
2-(Benzoylsulfanyl)-N-(2-methylphenyl)acetamide
CID 2348442
N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 2409282
N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
CID 2540090

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 19630426) is 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is Cc1ccccc1NC(=O)CSc1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is XDALXIRJSZGHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-15-6-2-5-9-20(15)25-21(26)14-28-17-12-10-16(11-13-17)24-22(27)18-7-3-4-8-19(18)23/h2-13H,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19630426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).