N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide

C24H18ClN3O2S — CID 46389691

IUPACN-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Oc2nccnc2Sc2ccccc2)cc1
InChIInChI=1S/C24H18ClN3O2S/c25-21-9-5-4-6-18(21)16-28-22(29)17-10-12-19(13-11-17)30-23-24(27-15-14-26-23)31-20-7-2-1-3-8-20/h1-15H,16H2,(H,28,29)
InChIKeyFJWFSFDIPLRWGC-UHFFFAOYSA-N
MW447.95 g/mol
LogP6.00
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide

N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide (PubChem CID 46389691) has the molecular formula C24H18ClN3O2S and a molecular weight of 447.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide
PubChem CID46389691
Molecular FormulaC24H18ClN3O2S
Molecular Weight447.95 g/mol
Exact Mass447.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(Oc2nccnc2Sc2ccccc2)cc1
InChIInChI=1S/C24H18ClN3O2S/c25-21-9-5-4-6-18(21)16-28-22(29)17-10-12-19(13-11-17)30-23-24(27-15-14-26-23)31-20-7-2-1-3-8-20/h1-15H,16H2,(H,28,29)
InChIKeyFJWFSFDIPLRWGC-UHFFFAOYSA-N
XLogP6.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.95
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)ethyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide
CID 46389726
N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388913
N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
CID 17194170
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
CID 82178844
4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxy-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 92883206
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 2417667
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide (CID 46389691) is N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide is O=C(NCc1ccccc1Cl)c1ccc(Oc2nccnc2Sc2ccccc2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide?
The InChIKey is FJWFSFDIPLRWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2S/c25-21-9-5-4-6-18(21)16-28-22(29)17-10-12-19(13-11-17)30-23-24(27-15-14-26-23)31-20-7-2-1-3-8-20/h1-15H,16H2,(H,28,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide?
N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide has a molecular weight of 447.95 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide is sourced from PubChem (CID 46389691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).