2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide

C25H31N3O5S — CID 41241616

IUPAC2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C(C)C)ccc3OCC)n2)cc1
InChIInChI=1S/C25H31N3O5S/c1-5-32-21-10-7-19(8-11-21)22-12-14-25(29)28(27-22)16-15-26-34(30,31)24-17-20(18(3)4)9-13-23(24)33-6-2/h7-14,17-18,26H,5-6,15-16H2,1-4H3
InChIKeyCGYRNRRATWSHBR-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.81
Rot. Bonds11

About 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide

2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide (PubChem CID 41241616) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
PubChem CID41241616
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C(C)C)ccc3OCC)n2)cc1
InChIInChI=1S/C25H31N3O5S/c1-5-32-21-10-7-19(8-11-21)22-12-14-25(29)28(27-22)16-15-26-34(30,31)24-17-20(18(3)4)9-13-23(24)33-6-2/h7-14,17-18,26H,5-6,15-16H2,1-4H3
InChIKeyCGYRNRRATWSHBR-UHFFFAOYSA-N
XLogP3.81
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide with MolForge

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Related Compounds

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 41241629
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41241538
2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 42226805
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 41241586
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3,5-difluorobenzenesulfonamide
CID 121034045
5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 41241507
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 91670271
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825990
5-bromo-2-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825988
4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241285

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide (CID 41241616) is 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide is CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C(C)C)ccc3OCC)n2)cc1.
What is the InChIKey of 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide?
The InChIKey is CGYRNRRATWSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-5-32-21-10-7-19(8-11-21)22-12-14-25(29)28(27-22)16-15-26-34(30,31)24-17-20(18(3)4)9-13-23(24)33-6-2/h7-14,17-18,26H,5-6,15-16H2,1-4H3.
What are the key properties of 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide?
2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide has a molecular weight of 485.61 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 41241616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).