5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C20H20FNO3S — CID 55391194

IUPAC5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2cccs2)CC2CCCO2)oc2ccc(F)cc12
InChIInChI=1S/C20H20FNO3S/c1-13-17-10-14(21)6-7-18(17)25-19(13)20(23)22(11-15-4-2-8-24-15)12-16-5-3-9-26-16/h3,5-7,9-10,15H,2,4,8,11-12H2,1H3
InChIKeyMJMHLNLRVXOXGM-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.76
Rot. Bonds5

About 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 55391194) has the molecular formula C20H20FNO3S and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID55391194
Molecular FormulaC20H20FNO3S
Molecular Weight373.45 g/mol
Exact Mass373.11
IUPAC Name5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2cccs2)CC2CCCO2)oc2ccc(F)cc12
InChIInChI=1S/C20H20FNO3S/c1-13-17-10-14(21)6-7-18(17)25-19(13)20(23)22(11-15-4-2-8-24-15)12-16-5-3-9-26-16/h3,5-7,9-10,15H,2,4,8,11-12H2,1H3
InChIKeyMJMHLNLRVXOXGM-UHFFFAOYSA-N
XLogP4.76
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120160
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35541317
2-chloro-4,5-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55521414
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
3-(4-fluorophenyl)-2-methylsulfanyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 55389152
3-iodo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389165
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 55391194) is 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(Cc2cccs2)CC2CCCO2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MJMHLNLRVXOXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3S/c1-13-17-10-14(21)6-7-18(17)25-19(13)20(23)22(11-15-4-2-8-24-15)12-16-5-3-9-26-16/h3,5-7,9-10,15H,2,4,8,11-12H2,1H3.
What are the key properties of 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55391194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).