2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide

C23H21FN2O4S — CID 112827439

IUPAC2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
SMILESCCS(=O)c1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C23H21FN2O4S/c1-3-31(29)21-10-5-4-9-18(21)23(28)25-17-11-12-20(30-2)19(14-17)26-22(27)15-7-6-8-16(24)13-15/h4-14H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyPOWCYKWBOHWNNQ-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.47
Rot. Bonds7

About 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide

2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide (PubChem CID 112827439) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
PubChem CID112827439
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
SMILESCCS(=O)c1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C23H21FN2O4S/c1-3-31(29)21-10-5-4-9-18(21)23(28)25-17-11-12-20(30-2)19(14-17)26-22(27)15-7-6-8-16(24)13-15/h4-14H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyPOWCYKWBOHWNNQ-UHFFFAOYSA-N
XLogP4.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 55725884
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide
CID 112827442
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55779610

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide?
The IUPAC name of 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide (CID 112827439) is 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide.
What is the SMILES notation for 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide?
The canonical SMILES for 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide is CCS(=O)c1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide?
The InChIKey is POWCYKWBOHWNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-3-31(29)21-10-5-4-9-18(21)23(28)25-17-11-12-20(30-2)19(14-17)26-22(27)15-7-6-8-16(24)13-15/h4-14H,3H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide?
2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide is sourced from PubChem (CID 112827439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).