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

C18H20FNO2S — CID 46982239

IUPAC4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C18H20FNO2S/c1-13-9-15(19)4-5-17(13)18(21)20(10-14-6-8-23-12-14)11-16-3-2-7-22-16/h4-6,8-9,12,16H,2-3,7,10-11H2,1H3
InChIKeyAOMMIMVIDQUDTE-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.02
Rot. Bonds5

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

4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 46982239) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide
PubChem CID46982239
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C18H20FNO2S/c1-13-9-15(19)4-5-17(13)18(21)20(10-14-6-8-23-12-14)11-16-3-2-7-22-16/h4-6,8-9,12,16H,2-3,7,10-11H2,1H3
InChIKeyAOMMIMVIDQUDTE-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide (CID 46982239) is 4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide is Cc1cc(F)ccc1C(=O)N(Cc1ccsc1)CC1CCCO1.
What is the InChIKey of 4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is AOMMIMVIDQUDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13-9-15(19)4-5-17(13)18(21)20(10-14-6-8-23-12-14)11-16-3-2-7-22-16/h4-6,8-9,12,16H,2-3,7,10-11H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide?
4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 333.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 46982239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).