N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide

C23H21FN2O2S — CID 22775332

IUPACN-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
SMILESCc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3F)cc2)c(C)c1
InChIInChI=1S/C23H21FN2O2S/c1-15-7-12-21(16(2)13-15)26-22(27)14-29-18-10-8-17(9-11-18)25-23(28)19-5-3-4-6-20(19)24/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyYFTMEEIDCFCEOO-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.43
Rot. Bonds6

About N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide

N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide (PubChem CID 22775332) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
PubChem CID22775332
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC NameN-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
SMILESCc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3F)cc2)c(C)c1
InChIInChI=1S/C23H21FN2O2S/c1-15-7-12-21(16(2)13-15)26-22(27)14-29-18-10-8-17(9-11-18)25-23(28)19-5-3-4-6-20(19)24/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyYFTMEEIDCFCEOO-UHFFFAOYSA-N
XLogP5.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 23097520
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
2-[[4-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785281
2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22779257
4-chloro-3-[[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 23095254
2-[[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785287
N-[2-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-fluorobenzamide
CID 4557497
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938
N-[4-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775724
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide (CID 22775332) is N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide is Cc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3F)cc2)c(C)c1.
What is the InChIKey of N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide?
The InChIKey is YFTMEEIDCFCEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-15-7-12-21(16(2)13-15)26-22(27)14-29-18-10-8-17(9-11-18)25-23(28)19-5-3-4-6-20(19)24/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide?
N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide has a molecular weight of 408.50 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 22775332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).