N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide

C24H23FN2O4S — CID 39083783

IUPACN-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)Cc2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H23FN2O4S/c1-17-5-11-22(12-6-17)27-23(28)16-32(30,31)15-19-3-2-4-20(13-19)24(29)26-14-18-7-9-21(25)10-8-18/h2-13H,14-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyDXKFEXVIQYHXRF-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.62
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide

N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide (PubChem CID 39083783) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide
PubChem CID39083783
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)Cc2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H23FN2O4S/c1-17-5-11-22(12-6-17)27-23(28)16-32(30,31)15-19-3-2-4-20(13-19)24(29)26-14-18-7-9-21(25)10-8-18/h2-13H,14-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyDXKFEXVIQYHXRF-UHFFFAOYSA-N
XLogP3.62
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731250
2-[(3-bromophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 7731168
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
CID 39083709
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
N-methyl-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 39076615
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 4798518
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39083637
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide (CID 39083783) is N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide is Cc1ccc(NC(=O)CS(=O)(=O)Cc2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide?
The InChIKey is DXKFEXVIQYHXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-17-5-11-22(12-6-17)27-23(28)16-32(30,31)15-19-3-2-4-20(13-19)24(29)26-14-18-7-9-21(25)10-8-18/h2-13H,14-16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide?
N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide has a molecular weight of 454.52 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide is sourced from PubChem (CID 39083783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).