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

C20H17NO3S — CID 18157867

IUPACN-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2ccco2)Cc2cccs2)oc2ccccc12
InChIInChI=1S/C20H17NO3S/c1-14-17-8-2-3-9-18(17)24-19(14)20(22)21(12-15-6-4-10-23-15)13-16-7-5-11-25-16/h2-11H,12-13H2,1H3
InChIKeyAFHGIOKFCMTWLV-UHFFFAOYSA-N
MW351.43 g/mol
LogP5.24
Rot. Bonds5

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

N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 18157867) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID18157867
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2ccco2)Cc2cccs2)oc2ccccc12
InChIInChI=1S/C20H17NO3S/c1-14-17-8-2-3-9-18(17)24-19(14)20(22)21(12-15-6-4-10-23-15)13-16-7-5-11-25-16/h2-11H,12-13H2,1H3
InChIKeyAFHGIOKFCMTWLV-UHFFFAOYSA-N
XLogP5.24
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
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
N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 67512362
N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 727308
Thiophene-2-carboxylic acid [(furan-2-ylmethyl)-carbamoyl]-(2-methoxy-phenyl)-methyl ester
CID 646791
Furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2496667
5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 2498342
1-Benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2550616
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-(thiophen-2-ylmethyl)propanamide
CID 2957599
2-{[4-(2-furoyl)piperazin-1-yl]carbonyl}-4H-thieno[3,2-c]chromen-4-one
CID 3239573

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 18157867) is N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(Cc2ccco2)Cc2cccs2)oc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is AFHGIOKFCMTWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-14-17-8-2-3-9-18(17)24-19(14)20(22)21(12-15-6-4-10-23-15)13-16-7-5-11-25-16/h2-11H,12-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18157867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).