N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide

C23H19N3O3S — CID 46389726

IUPACN-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide
SMILESO=C(NCCc1ccco1)c1ccc(Oc2nccnc2Sc2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S/c27-21(24-13-12-18-5-4-16-28-18)17-8-10-19(11-9-17)29-22-23(26-15-14-25-22)30-20-6-2-1-3-7-20/h1-11,14-16H,12-13H2,(H,24,27)
InChIKeyHROHHLUTKSCQQB-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.99
Rot. Bonds8

About N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide

N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide (PubChem CID 46389726) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide
PubChem CID46389726
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide
SMILESO=C(NCCc1ccco1)c1ccc(Oc2nccnc2Sc2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S/c27-21(24-13-12-18-5-4-16-28-18)17-8-10-19(11-9-17)29-22-23(26-15-14-25-22)30-20-6-2-1-3-7-20/h1-11,14-16H,12-13H2,(H,24,27)
InChIKeyHROHHLUTKSCQQB-UHFFFAOYSA-N
XLogP4.99
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide
CID 46389691
N-[2-(furan-2-yl)ethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24544168
N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
CID 71708375
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607308
N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18126076
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929
N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160453
1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041330

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide (CID 46389726) is N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide is O=C(NCCc1ccco1)c1ccc(Oc2nccnc2Sc2ccccc2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide?
The InChIKey is HROHHLUTKSCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-21(24-13-12-18-5-4-16-28-18)17-8-10-19(11-9-17)29-22-23(26-15-14-25-22)30-20-6-2-1-3-7-20/h1-11,14-16H,12-13H2,(H,24,27).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide?
N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide has a molecular weight of 417.49 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide is sourced from PubChem (CID 46389726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).