N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C21H23N3O4S — CID 42940910

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3ccc(C(=O)NC4(C)CCS(=O)(=O)C4)cc3)cn2c1
InChIInChI=1S/C21H23N3O4S/c1-15-3-8-19-22-17(12-24(19)11-15)13-28-18-6-4-16(5-7-18)20(25)23-21(2)9-10-29(26,27)14-21/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,25)
InChIKeyLNLDCLVDJXRYDT-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.53
Rot. Bonds5

About N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 42940910) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID42940910
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3ccc(C(=O)NC4(C)CCS(=O)(=O)C4)cc3)cn2c1
InChIInChI=1S/C21H23N3O4S/c1-15-3-8-19-22-17(12-24(19)11-15)13-28-18-6-4-16(5-7-18)20(25)23-21(2)9-10-29(26,27)14-21/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,25)
InChIKeyLNLDCLVDJXRYDT-UHFFFAOYSA-N
XLogP2.53
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 42940910) is N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1ccc2nc(COc3ccc(C(=O)NC4(C)CCS(=O)(=O)C4)cc3)cn2c1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is LNLDCLVDJXRYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-3-8-19-22-17(12-24(19)11-15)13-28-18-6-4-16(5-7-18)20(25)23-21(2)9-10-29(26,27)14-21/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 413.50 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 42940910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).