4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide

C16H18FNO2S — CID 50974666

IUPAC4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H18FNO2S/c1-12-10-13(5-6-15(12)17)16(19)18(7-8-20-2)11-14-4-3-9-21-14/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyXDNSHQSATYDFHS-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.48
Rot. Bonds6

About 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide

4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 50974666) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID50974666
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C16H18FNO2S/c1-12-10-13(5-6-15(12)17)16(19)18(7-8-20-2)11-14-4-3-9-21-14/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyXDNSHQSATYDFHS-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 50974666) is 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide is COCCN(Cc1cccs1)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is XDNSHQSATYDFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-12-10-13(5-6-15(12)17)16(19)18(7-8-20-2)11-14-4-3-9-21-14/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 307.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 50974666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).