N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide

C20H21N3O4S — CID 17425093

IUPACN-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OCc2cn3ccccc3n2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H21N3O4S/c1-22(17-9-11-28(25,26)14-17)20(24)15-5-7-18(8-6-15)27-13-16-12-23-10-3-2-4-19(23)21-16/h2-8,10,12,17H,9,11,13-14H2,1H3
InChIKeyQIBWSGRMIUXKMZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.17
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide

N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide (PubChem CID 17425093) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide
PubChem CID17425093
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OCc2cn3ccccc3n2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H21N3O4S/c1-22(17-9-11-28(25,26)14-17)20(24)15-5-7-18(8-6-15)27-13-16-12-23-10-3-2-4-19(23)21-16/h2-8,10,12,17H,9,11,13-14H2,1H3
InChIKeyQIBWSGRMIUXKMZ-UHFFFAOYSA-N
XLogP2.17
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 27710930
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 51930307
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 94055154
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96576100
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 40723884
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-prop-2-enylbenzamide
CID 9400053
N-[(3R)-1,1-dioxothiolan-3-yl]-4-(methoxymethyl)-N-methylbenzamide
CID 38832034
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18132097
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propylbenzamide
CID 47719707

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide (CID 17425093) is N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide is CN(C(=O)c1ccc(OCc2cn3ccccc3n2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide?
The InChIKey is QIBWSGRMIUXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-22(17-9-11-28(25,26)14-17)20(24)15-5-7-18(8-6-15)27-13-16-12-23-10-3-2-4-19(23)21-16/h2-8,10,12,17H,9,11,13-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide?
N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide has a molecular weight of 399.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide is sourced from PubChem (CID 17425093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).