3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide

C24H23FN2O3S — CID 4291445

IUPAC3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(Sc2ccc(F)cc2)c(NC(C)=O)c1
InChIInChI=1S/C24H23FN2O3S/c1-3-30-22-7-5-4-6-18(22)15-26-24(29)17-8-13-23(21(14-17)27-16(2)28)31-20-11-9-19(25)10-12-20/h4-14H,3,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyJUXVICMVWWTCSO-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.26
Rot. Bonds8

About 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide

3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide (PubChem CID 4291445) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
PubChem CID4291445
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(Sc2ccc(F)cc2)c(NC(C)=O)c1
InChIInChI=1S/C24H23FN2O3S/c1-3-30-22-7-5-4-6-18(22)15-26-24(29)17-8-13-23(21(14-17)27-16(2)28)31-20-11-9-19(25)10-12-20/h4-14H,3,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyJUXVICMVWWTCSO-UHFFFAOYSA-N
XLogP5.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 5143379
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide
CID 56786643
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
N-[2-(4-fluorophenyl)sulfanylphenyl]acetamide
CID 58015270
N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051647
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105558
3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide
CID 4304352
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The IUPAC name of 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide (CID 4291445) is 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The canonical SMILES for 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide is CCOc1ccccc1CNC(=O)c1ccc(Sc2ccc(F)cc2)c(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The InChIKey is JUXVICMVWWTCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-3-30-22-7-5-4-6-18(22)15-26-24(29)17-8-13-23(21(14-17)27-16(2)28)31-20-11-9-19(25)10-12-20/h4-14H,3,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide has a molecular weight of 438.52 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide is sourced from PubChem (CID 4291445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).