4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide

C17H17FN2O3S — CID 8966272

IUPAC4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17FN2O3S/c1-23-15-7-4-13(18)8-12(15)9-24-10-16(21)20-14-5-2-11(3-6-14)17(19)22/h2-8H,9-10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyAQAATWUXAJZNJD-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.81
Rot. Bonds7

About 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide

4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide (PubChem CID 8966272) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
PubChem CID8966272
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17FN2O3S/c1-23-15-7-4-13(18)8-12(15)9-24-10-16(21)20-14-5-2-11(3-6-14)17(19)22/h2-8H,9-10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyAQAATWUXAJZNJD-UHFFFAOYSA-N
XLogP2.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7684392
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8966348
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
CID 8968994
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966249
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966479
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526
N-(2-chloro-4,6-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966903
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide (CID 8966272) is 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide is COc1ccc(F)cc1CSCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is AQAATWUXAJZNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-23-15-7-4-13(18)8-12(15)9-24-10-16(21)20-14-5-2-11(3-6-14)17(19)22/h2-8H,9-10H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide?
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 348.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 8966272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).