N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide

C23H27N3O5S — CID 23075898

IUPACN-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCOCCCCOc1cccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H27N3O5S/c1-18-8-10-21(11-9-18)32(27,28)26-22-23(25-13-12-24-22)31-17-19-6-5-7-20(16-19)30-15-4-3-14-29-2/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,24,26)
InChIKeyCOZYNUYFQMDJEK-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.97
Rot. Bonds12

About N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide

N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075898) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075898
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCOCCCCOc1cccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H27N3O5S/c1-18-8-10-21(11-9-18)32(27,28)26-22-23(25-13-12-24-22)31-17-19-6-5-7-20(16-19)30-15-4-3-14-29-2/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,24,26)
InChIKeyCOZYNUYFQMDJEK-UHFFFAOYSA-N
XLogP3.97
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075847
4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075878
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 54782935
N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113100033
N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075774
5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076094
N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 2728379
4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076292

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23075898) is N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is COCCCCOc1cccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is COZYNUYFQMDJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-18-8-10-21(11-9-18)32(27,28)26-22-23(25-13-12-24-22)31-17-19-6-5-7-20(16-19)30-15-4-3-14-29-2/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 457.55 g/mol, XLogP of 3.97, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).