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

C25H30N4O6S — CID 23075847

IUPACN-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN1CCOCC1
InChIInChI=1S/C25H30N4O6S/c1-19-3-6-21(7-4-19)36(30,31)28-24-25(27-10-9-26-24)35-18-20-5-8-22(32-2)23(17-20)34-16-13-29-11-14-33-15-12-29/h3-10,17H,11-16,18H2,1-2H3,(H,26,28)
InChIKeyCGTGSMYPQUTLIM-UHFFFAOYSA-N
MW514.60 g/mol
LogP2.88
Rot. Bonds11

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

N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075847) has the molecular formula C25H30N4O6S and a molecular weight of 514.60 g/mol. Its IUPAC name is N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075847
Molecular FormulaC25H30N4O6S
Molecular Weight514.60 g/mol
Exact Mass514.19
IUPAC NameN-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN1CCOCC1
InChIInChI=1S/C25H30N4O6S/c1-19-3-6-21(7-4-19)36(30,31)28-24-25(27-10-9-26-24)35-18-20-5-8-22(32-2)23(17-20)34-16-13-29-11-14-33-15-12-29/h3-10,17H,11-16,18H2,1-2H3,(H,26,28)
InChIKeyCGTGSMYPQUTLIM-UHFFFAOYSA-N
XLogP2.88
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.60
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075878
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075898
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 2728379
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4719269
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23075847) is N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is COc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN1CCOCC1.
What is the InChIKey of N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is CGTGSMYPQUTLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6S/c1-19-3-6-21(7-4-19)36(30,31)28-24-25(27-10-9-26-24)35-18-20-5-8-22(32-2)23(17-20)34-16-13-29-11-14-33-15-12-29/h3-10,17H,11-16,18H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 514.60 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).