N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide

C37H44N6O7S2 — CID 124710841

IUPACN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccc(-n2cc/c(=N\c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n2)cc1
InChIInChI=1S/C37H44N6O7S2/c1-6-29-7-13-32(14-8-29)43-20-19-35(38-30-9-15-33(16-10-30)51(45,46)41-21-25(2)49-26(3)22-41)36(40-43)37(44)39-31-11-17-34(18-12-31)52(47,48)42-23-27(4)50-28(5)24-42/h7-20,25-28H,6,21-24H2,1-5H3,(H,39,44)/b38-35+/t25-,26+,27-,28-/m0/s1
InChIKeyAHAMYCRDNBNHOB-TXABKGHISA-N
MW748.93 g/mol
LogP4.52
Rot. Bonds9

About N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide (PubChem CID 124710841) has the molecular formula C37H44N6O7S2 and a molecular weight of 748.93 g/mol. Its IUPAC name is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide
PubChem CID124710841
Molecular FormulaC37H44N6O7S2
Molecular Weight748.93 g/mol
Exact Mass748.27
IUPAC NameN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccc(-n2cc/c(=N\c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n2)cc1
InChIInChI=1S/C37H44N6O7S2/c1-6-29-7-13-32(14-8-29)43-20-19-35(38-30-9-15-33(16-10-30)51(45,46)41-21-25(2)49-26(3)22-41)36(40-43)37(44)39-31-11-17-34(18-12-31)52(47,48)42-23-27(4)50-28(5)24-42/h7-20,25-28H,6,21-24H2,1-5H3,(H,39,44)/b38-35+/t25-,26+,27-,28-/m0/s1
InChIKeyAHAMYCRDNBNHOB-TXABKGHISA-N
XLogP4.52
TPSA152.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500748.93
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide (CID 124710841) is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide is CCc1ccc(-n2cc/c(=N\c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n2)cc1.
What is the InChIKey of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide?
The InChIKey is AHAMYCRDNBNHOB-TXABKGHISA-N. The full InChI is InChI=1S/C37H44N6O7S2/c1-6-29-7-13-32(14-8-29)43-20-19-35(38-30-9-15-33(16-10-30)51(45,46)41-21-25(2)49-26(3)22-41)36(40-43)37(44)39-31-11-17-34(18-12-31)52(47,48)42-23-27(4)50-28(5)24-42/h7-20,25-28H,6,21-24H2,1-5H3,(H,39,44)/b38-35+/t25-,26+,27-,28-/m0/s1.
What are the key properties of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide?
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide has a molecular weight of 748.93 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]imino-1-(4-ethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 124710841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).