N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C21H16FNO2S — CID 35572634

IUPACN-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2cccs2)c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C21H16FNO2S/c1-14-18-6-2-3-7-19(18)25-20(14)21(24)23(13-17-5-4-12-26-17)16-10-8-15(22)9-11-16/h2-12H,13H2,1H3
InChIKeyMJXNLNRLAIYMIR-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.79
Rot. Bonds4

About N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 35572634) has the molecular formula C21H16FNO2S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID35572634
Molecular FormulaC21H16FNO2S
Molecular Weight365.43 g/mol
Exact Mass365.09
IUPAC NameN-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2cccs2)c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C21H16FNO2S/c1-14-18-6-2-3-7-19(18)25-20(14)21(24)23(13-17-5-4-12-26-17)16-10-8-15(22)9-11-16/h2-12H,13H2,1H3
InChIKeyMJXNLNRLAIYMIR-UHFFFAOYSA-N
XLogP5.79
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
Benzofuran-2-yl(indolin-1-yl)methanone
CID 780029
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 9119435
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9328527
(3-Methyl-1-benzofuran-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 16293355
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 662750
N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 2675152
N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 67511180
1-(5-Fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-(2-methoxyphenyl)piperazine
CID 986576
N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1132525
1-[(3-Methyl-1-benzofuran-2-yl)carbonyl]indoline
CID 1247770
3-methyl-N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1340458

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 35572634) is N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(Cc2cccs2)c2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MJXNLNRLAIYMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2S/c1-14-18-6-2-3-7-19(18)25-20(14)21(24)23(13-17-5-4-12-26-17)16-10-8-15(22)9-11-16/h2-12H,13H2,1H3.
What are the key properties of N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35572634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).