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

C19H19N3O4S — CID 27710930

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C19H19N3O4S/c23-19(21-15-8-10-27(24,25)13-15)14-4-6-17(7-5-14)26-12-16-11-22-9-2-1-3-18(22)20-16/h1-7,9,11,15H,8,10,12-13H2,(H,21,23)/t15-/m0/s1
InChIKeyBJQAALAMEMXJQV-HNNXBMFYSA-N
MW385.45 g/mol
LogP1.83
Rot. Bonds5

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

N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (PubChem CID 27710930) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
PubChem CID27710930
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C19H19N3O4S/c23-19(21-15-8-10-27(24,25)13-15)14-4-6-17(7-5-14)26-12-16-11-22-9-2-1-3-18(22)20-16/h1-7,9,11,15H,8,10,12-13H2,(H,21,23)/t15-/m0/s1
InChIKeyBJQAALAMEMXJQV-HNNXBMFYSA-N
XLogP1.83
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
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
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-prop-2-enylbenzamide
CID 9400053
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-ylbenzamide
CID 119388257
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119457516
N-(3,5-difluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 25406496
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 27861009
N-[(3-chlorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 9402179
N-(1,1-dioxothiolan-3-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18137645
N-[1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperidin-4-yl]benzamide
CID 167931551
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-(1-benzylpiperidin-4-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24541999
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (CID 27710930) is N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OCc2cn3ccccc3n2)cc1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The InChIKey is BJQAALAMEMXJQV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-19(21-15-8-10-27(24,25)13-15)14-4-6-17(7-5-14)26-12-16-11-22-9-2-1-3-18(22)20-16/h1-7,9,11,15H,8,10,12-13H2,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide has a molecular weight of 385.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 27710930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).