N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide

C18H17NO4S — CID 19500932

IUPACN-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C18H17NO4S/c1-21-14-4-2-5-15(9-14)23-11-13-8-17(24-12-13)18(20)19-10-16-6-3-7-22-16/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeyBDOONOJUAYKAOU-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.86
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide

N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19500932) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19500932
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC NameN-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C18H17NO4S/c1-21-14-4-2-5-15(9-14)23-11-13-8-17(24-12-13)18(20)19-10-16-6-3-7-22-16/h2-9,12H,10-11H2,1H3,(H,19,20)
InChIKeyBDOONOJUAYKAOU-UHFFFAOYSA-N
XLogP3.86
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495493
4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 19503099
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
CID 111770257
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500887
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
4-[(3-methoxyphenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19500970
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-butyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491241

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19500932) is N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide is COc1cccc(OCc2csc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is BDOONOJUAYKAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-21-14-4-2-5-15(9-14)23-11-13-8-17(24-12-13)18(20)19-10-16-6-3-7-22-16/h2-9,12H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19500932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).