3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide

C20H17FN2O3S — CID 4548754

IUPAC3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3S/c1-13(24)23-18-11-14(20(25)22-12-16-3-2-10-26-16)4-9-19(18)27-17-7-5-15(21)6-8-17/h2-11H,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyQPDQVJJKNHZBDN-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.46
Rot. Bonds6

About 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide

3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide (PubChem CID 4548754) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide
PubChem CID4548754
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3S/c1-13(24)23-18-11-14(20(25)22-12-16-3-2-10-26-16)4-9-19(18)27-17-7-5-15(21)6-8-17/h2-11H,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyQPDQVJJKNHZBDN-UHFFFAOYSA-N
XLogP4.46
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide (CID 4548754) is 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide is CC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(F)cc1.
What is the InChIKey of 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide?
The InChIKey is QPDQVJJKNHZBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-13(24)23-18-11-14(20(25)22-12-16-3-2-10-26-16)4-9-19(18)27-17-7-5-15(21)6-8-17/h2-11H,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide?
3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide has a molecular weight of 384.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 4548754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).