N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

C25H22N2O4S — CID 78863795

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2occc2CSc2ccccc2)cc1OCc1cccnc1
InChIInChI=1S/C25H22N2O4S/c1-29-22-10-9-20(14-23(22)31-16-18-6-5-12-26-15-18)27-25(28)24-19(11-13-30-24)17-32-21-7-3-2-4-8-21/h2-15H,16-17H2,1H3,(H,27,28)
InChIKeyRSMQCFBICATSHN-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.81
Rot. Bonds9

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 78863795) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID78863795
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2occc2CSc2ccccc2)cc1OCc1cccnc1
InChIInChI=1S/C25H22N2O4S/c1-29-22-10-9-20(14-23(22)31-16-18-6-5-12-26-15-18)27-25(28)24-19(11-13-30-24)17-32-21-7-3-2-4-8-21/h2-15H,16-17H2,1H3,(H,27,28)
InChIKeyRSMQCFBICATSHN-UHFFFAOYSA-N
XLogP5.81
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 78861185
3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide
CID 46672069
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 38627291
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55683457
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38627115
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 43069775
N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]phenyl]acetamide
CID 55767821

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 78863795) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is COc1ccc(NC(=O)c2occc2CSc2ccccc2)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is RSMQCFBICATSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S/c1-29-22-10-9-20(14-23(22)31-16-18-6-5-12-26-15-18)27-25(28)24-19(11-13-30-24)17-32-21-7-3-2-4-8-21/h2-15H,16-17H2,1H3,(H,27,28).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 78863795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).