N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C21H23N3O4S — CID 25347863

IUPACN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cc3)nc12
InChIInChI=1S/C21H23N3O4S/c1-15-4-3-10-24-12-17(22-19(15)24)13-28-18-7-5-16(6-8-18)20(25)23-21(2)9-11-29(26,27)14-21/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyPMOKGNSIDQPODZ-NRFANRHFSA-N
MW413.50 g/mol
LogP2.53
Rot. Bonds5

About N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 25347863) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID25347863
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cc3)nc12
InChIInChI=1S/C21H23N3O4S/c1-15-4-3-10-24-12-17(22-19(15)24)13-28-18-7-5-16(6-8-18)20(25)23-21(2)9-11-29(26,27)14-21/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyPMOKGNSIDQPODZ-NRFANRHFSA-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-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 25347863) is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1cccn2cc(COc3ccc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cc3)nc12.
What is the InChIKey of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is PMOKGNSIDQPODZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-4-3-10-24-12-17(22-19(15)24)13-28-18-7-5-16(6-8-18)20(25)23-21(2)9-11-29(26,27)14-21/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-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-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 25347863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).