N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

C24H21NO4S — CID 78891799

IUPACN-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)c1occc1CSc1ccccc1
InChIInChI=1S/C24H21NO4S/c26-24(23-19(11-13-29-23)17-30-22-9-2-1-3-10-22)25-20-7-4-6-18(14-20)15-27-16-21-8-5-12-28-21/h1-14H,15-17H2,(H,25,26)
InChIKeyZEOYKJNORNMNSS-UHFFFAOYSA-N
MW419.50 g/mol
LogP6.13
Rot. Bonds9

About N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 78891799) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID78891799
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)c1occc1CSc1ccccc1
InChIInChI=1S/C24H21NO4S/c26-24(23-19(11-13-29-23)17-30-22-9-2-1-3-10-22)25-20-7-4-6-18(14-20)15-27-16-21-8-5-12-28-21/h1-14H,15-17H2,(H,25,26)
InChIKeyZEOYKJNORNMNSS-UHFFFAOYSA-N
XLogP6.13
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 78861185
N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134046258
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide
CID 55807041
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78863795
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 87006764
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(2-phenylethenylsulfonylamino)benzamide
CID 55933313
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 98890248

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 78891799) is N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is O=C(Nc1cccc(COCc2ccco2)c1)c1occc1CSc1ccccc1.
What is the InChIKey of N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is ZEOYKJNORNMNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4S/c26-24(23-19(11-13-29-23)17-30-22-9-2-1-3-10-22)25-20-7-4-6-18(14-20)15-27-16-21-8-5-12-28-21/h1-14H,15-17H2,(H,25,26).
What are the key properties of N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 78891799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).