2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C24H21N3O3S — CID 18273284

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(NC(=O)CSc3ccc4c(c3)OCCO4)c(-c3ccccc3)nc12
InChIInChI=1S/C24H21N3O3S/c1-16-6-5-11-27-23(16)26-22(17-7-3-2-4-8-17)24(27)25-21(28)15-31-18-9-10-19-20(14-18)30-13-12-29-19/h2-11,14H,12-13,15H2,1H3,(H,25,28)
InChIKeyMTXDHNAMSLPTTI-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.81
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 18273284) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID18273284
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(NC(=O)CSc3ccc4c(c3)OCCO4)c(-c3ccccc3)nc12
InChIInChI=1S/C24H21N3O3S/c1-16-6-5-11-27-23(16)26-22(17-7-3-2-4-8-17)24(27)25-21(28)15-31-18-9-10-19-20(14-18)30-13-12-29-19/h2-11,14H,12-13,15H2,1H3,(H,25,28)
InChIKeyMTXDHNAMSLPTTI-UHFFFAOYSA-N
XLogP4.81
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 18278657
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CID 25341536
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94092022
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(6-methyl-2-pyridinyl)acetamide
CID 18107184
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750525
3-cyclopentyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 16559332
(3R)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)oxolane-3-carboxamide
CID 95272020
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 92738385
2-(2-fluorophenoxy)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 40656268
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 46528847
3-(2,5-dimethoxyphenyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 46539218
3-acetamido-3-(4-methoxyphenyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 46690670

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 18273284) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is Cc1cccn2c(NC(=O)CSc3ccc4c(c3)OCCO4)c(-c3ccccc3)nc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is MTXDHNAMSLPTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-16-6-5-11-27-23(16)26-22(17-7-3-2-4-8-17)24(27)25-21(28)15-31-18-9-10-19-20(14-18)30-13-12-29-19/h2-11,14H,12-13,15H2,1H3,(H,25,28).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 431.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 18273284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).