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

C21H23N3O4S — CID 51930307

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3cccc(C(=O)N(C)[C@H]4CCS(=O)(=O)C4)c3)cn2c1
InChIInChI=1S/C21H23N3O4S/c1-15-6-7-20-22-17(12-24(20)11-15)13-28-19-5-3-4-16(10-19)21(25)23(2)18-8-9-29(26,27)14-18/h3-7,10-12,18H,8-9,13-14H2,1-2H3/t18-/m0/s1
InChIKeyHIUMSCQPPJUEFE-SFHVURJKSA-N
MW413.50 g/mol
LogP2.48
Rot. Bonds5

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

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 51930307) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID51930307
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3cccc(C(=O)N(C)[C@H]4CCS(=O)(=O)C4)c3)cn2c1
InChIInChI=1S/C21H23N3O4S/c1-15-6-7-20-22-17(12-24(20)11-15)13-28-19-5-3-4-16(10-19)21(25)23(2)18-8-9-29(26,27)14-18/h3-7,10-12,18H,8-9,13-14H2,1-2H3/t18-/m0/s1
InChIKeyHIUMSCQPPJUEFE-SFHVURJKSA-N
XLogP2.48
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide
CID 17425093
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-propylbenzamide
CID 30661051
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 52552738
N-[(3-fluorophenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 78836551
N-[(4-fluorophenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55512005
N-(2-methoxyethyl)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134024136
methyl 2-[[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]acetate
CID 52552732
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 56560855
[4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119560978
N-[(4-methoxyphenyl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24617007
cyclobutyl-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 56512391
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55511756

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 51930307) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1ccc2nc(COc3cccc(C(=O)N(C)[C@H]4CCS(=O)(=O)C4)c3)cn2c1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is HIUMSCQPPJUEFE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-6-7-20-22-17(12-24(20)11-15)13-28-19-5-3-4-16(10-19)21(25)23(2)18-8-9-29(26,27)14-18/h3-7,10-12,18H,8-9,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 413.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 51930307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).