5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide

C19H22N4O4S — CID 42434980

IUPAC5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCc2nnc(SC)n2-c2ccc(OC)cc2)o1
InChIInChI=1S/C19H22N4O4S/c1-25-12-15-8-9-16(27-15)18(24)20-11-10-17-21-22-19(28-3)23(17)13-4-6-14(26-2)7-5-13/h4-9H,10-12H2,1-3H3,(H,20,24)
InChIKeyAOURFENAAMVNRX-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.71
Rot. Bonds9

About 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide

5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide (PubChem CID 42434980) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
PubChem CID42434980
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCc2nnc(SC)n2-c2ccc(OC)cc2)o1
InChIInChI=1S/C19H22N4O4S/c1-25-12-15-8-9-16(27-15)18(24)20-11-10-17-21-22-19(28-3)23(17)13-4-6-14(26-2)7-5-13/h4-9H,10-12H2,1-3H3,(H,20,24)
InChIKeyAOURFENAAMVNRX-UHFFFAOYSA-N
XLogP2.71
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45205475
N-[2-[4-(2-fluorophenyl)-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 45188768
N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 25465037
N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]furan-3-carboxamide
CID 42166338
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
5-(methoxymethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78882053
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]oxolane-2-carboxamide
CID 45228553
N-[2-[4-(4-methoxyphenyl)-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide
CID 3456791
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
N-[2-[5-(cyclohexylmethylsulfanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 42172160

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide (CID 42434980) is 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide is COCc1ccc(C(=O)NCCc2nnc(SC)n2-c2ccc(OC)cc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide?
The InChIKey is AOURFENAAMVNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-25-12-15-8-9-16(27-15)18(24)20-11-10-17-21-22-19(28-3)23(17)13-4-6-14(26-2)7-5-13/h4-9H,10-12H2,1-3H3,(H,20,24).
What are the key properties of 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42434980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).