N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

C19H19NO4S — CID 19495493

IUPACN-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)ccc1OCc1csc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C19H19NO4S/c1-13-5-6-16(17(8-13)22-2)24-11-14-9-18(25-12-14)19(21)20-10-15-4-3-7-23-15/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyJNEDERWKPARVKU-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.17
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19495493) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19495493
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)ccc1OCc1csc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C19H19NO4S/c1-13-5-6-16(17(8-13)22-2)24-11-14-9-18(25-12-14)19(21)20-10-15-4-3-7-23-15/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyJNEDERWKPARVKU-UHFFFAOYSA-N
XLogP4.17
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500932
4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 19503099
N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495432
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495460
N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495453
4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19483513
N-(3-chloro-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495467
4-[(2-methoxy-4-methylphenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19497104
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066056
N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19497119
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39641892

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19495493) is N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is COc1cc(C)ccc1OCc1csc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is JNEDERWKPARVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-13-5-6-16(17(8-13)22-2)24-11-14-9-18(25-12-14)19(21)20-10-15-4-3-7-23-15/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 4.17, 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-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19495493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).