N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C14H16N4O5S2 — CID 32648382

IUPACN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H16N4O5S2/c19-12-3-2-11(16-17-12)14(20)15-9-10-1-4-13(24-10)25(21,22)18-5-7-23-8-6-18/h1-4H,5-9H2,(H,15,20)(H,17,19)
InChIKeyYBPRYSHDJMPRMZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP-0.22
Rot. Bonds5

About N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 32648382) has the molecular formula C14H16N4O5S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID32648382
Molecular FormulaC14H16N4O5S2
Molecular Weight384.44 g/mol
Exact Mass384.06
IUPAC NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H16N4O5S2/c19-12-3-2-11(16-17-12)14(20)15-9-10-1-4-13(24-10)25(21,22)18-5-7-23-8-6-18/h1-4H,5-9H2,(H,15,20)(H,17,19)
InChIKeyYBPRYSHDJMPRMZ-UHFFFAOYSA-N
XLogP-0.22
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 32648382) is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YBPRYSHDJMPRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S2/c19-12-3-2-11(16-17-12)14(20)15-9-10-1-4-13(24-10)25(21,22)18-5-7-23-8-6-18/h1-4H,5-9H2,(H,15,20)(H,17,19).
What are the key properties of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 32648382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).