N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H23N5O4S — CID 58374636

IUPACN-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H23N5O4S/c28-20(26-10-12-32(30,31)13-11-26)14-15-4-6-16(7-5-15)18-2-1-3-19-23-22(25-27(18)19)24-21(29)17-8-9-17/h1-7,17H,8-14H2,(H,24,25,29)
InChIKeyVOTZBXOKWVAWEJ-UHFFFAOYSA-N
MW453.52 g/mol
LogP1.54
Rot. Bonds5

About N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374636) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374636
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H23N5O4S/c28-20(26-10-12-32(30,31)13-11-26)14-15-4-6-16(7-5-15)18-2-1-3-19-23-22(25-27(18)19)24-21(29)17-8-9-17/h1-7,17H,8-14H2,(H,24,25,29)
InChIKeyVOTZBXOKWVAWEJ-UHFFFAOYSA-N
XLogP1.54
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374636) is N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is VOTZBXOKWVAWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c28-20(26-10-12-32(30,31)13-11-26)14-15-4-6-16(7-5-15)18-2-1-3-19-23-22(25-27(18)19)24-21(29)17-8-9-17/h1-7,17H,8-14H2,(H,24,25,29).
What are the key properties of N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 453.52 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).