N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

C18H17NO3S — CID 78773680

IUPACN-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)sc2C)cc1
InChIInChI=1S/C18H17NO3S/c1-12-16(13-5-7-14(21-2)8-6-13)10-17(23-12)18(20)19-11-15-4-3-9-22-15/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyBLUOHYYGTOZKHP-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.26
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 78773680) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID78773680
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)sc2C)cc1
InChIInChI=1S/C18H17NO3S/c1-12-16(13-5-7-14(21-2)8-6-13)10-17(23-12)18(20)19-11-15-4-3-9-22-15/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyBLUOHYYGTOZKHP-UHFFFAOYSA-N
XLogP4.26
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290
4-(4-methoxyphenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119533300
N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824755
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523560
(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide
CID 8015800
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7306819
N-(furan-2-ylmethyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270020

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 78773680) is N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccco3)sc2C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is BLUOHYYGTOZKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12-16(13-5-7-14(21-2)8-6-13)10-17(23-12)18(20)19-11-15-4-3-9-22-15/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 78773680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).