N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H17N3O4S — CID 110796320

IUPACN-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc2c(c1)CCCS2(=O)=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H17N3O4S/c20-15-6-4-13(18-19-15)16(21)17-8-7-11-3-5-14-12(10-11)2-1-9-24(14,22)23/h3-6,10H,1-2,7-9H2,(H,17,21)(H,19,20)
InChIKeyNVEHGLOEAAFRFB-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.46
Rot. Bonds4

About N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110796320) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110796320
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc2c(c1)CCCS2(=O)=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H17N3O4S/c20-15-6-4-13(18-19-15)16(21)17-8-7-11-3-5-14-12(10-11)2-1-9-24(14,22)23/h3-6,10H,1-2,7-9H2,(H,17,21)(H,19,20)
InChIKeyNVEHGLOEAAFRFB-UHFFFAOYSA-N
XLogP0.46
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide
CID 110766727
N-[3-(1,3-benzodioxol-5-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110661221
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(3-methylbutyl)acetamide
CID 110774321
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 116932296
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide
CID 108793483
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methylamino]acetic acid
CID 115218041
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113238381

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110796320) is N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCCc1ccc2c(c1)CCCS2(=O)=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is NVEHGLOEAAFRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-15-6-4-13(18-19-15)16(21)17-8-7-11-3-5-14-12(10-11)2-1-9-24(14,22)23/h3-6,10H,1-2,7-9H2,(H,17,21)(H,19,20).
What are the key properties of N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110796320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).