N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide

C25H24N4O5S — CID 23075774

IUPACN-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2cnc(NS(=O)(=O)c3ccc(C)cc3)c(OCc3cccnc3)n2)c(OC)c1
InChIInChI=1S/C25H24N4O5S/c1-17-6-9-20(10-7-17)35(30,31)29-24-25(34-16-18-5-4-12-26-14-18)28-22(15-27-24)21-11-8-19(32-2)13-23(21)33-3/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyMSCGCPSYKFUSRL-UHFFFAOYSA-N
MW492.56 g/mol
LogP4.24
Rot. Bonds9

About N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide

N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075774) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075774
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC NameN-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2cnc(NS(=O)(=O)c3ccc(C)cc3)c(OCc3cccnc3)n2)c(OC)c1
InChIInChI=1S/C25H24N4O5S/c1-17-6-9-20(10-7-17)35(30,31)29-24-25(34-16-18-5-4-12-26-14-18)28-22(15-27-24)21-11-8-19(32-2)13-23(21)33-3/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyMSCGCPSYKFUSRL-UHFFFAOYSA-N
XLogP4.24
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076292
N-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23076151
N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076205
5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076094
N-(4-methylpentan-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076058
N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075958
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076029
4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075922
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075898

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23075774) is N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is COc1ccc(-c2cnc(NS(=O)(=O)c3ccc(C)cc3)c(OCc3cccnc3)n2)c(OC)c1.
What is the InChIKey of N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is MSCGCPSYKFUSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-17-6-9-20(10-7-17)35(30,31)29-24-25(34-16-18-5-4-12-26-14-18)28-22(15-27-24)21-11-8-19(32-2)13-23(21)33-3/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 492.56 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).