N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide

C21H24N4O2S — CID 42988681

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)Sc1ncc2ccccn12
InChIInChI=1S/C21H24N4O2S/c1-4-16-9-5-6-11-18(16)23-19(26)14-24(3)20(27)15(2)28-21-22-13-17-10-7-8-12-25(17)21/h5-13,15H,4,14H2,1-3H3,(H,23,26)
InChIKeySTVFXZWORKRMTR-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide

N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide (PubChem CID 42988681) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide
PubChem CID42988681
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)Sc1ncc2ccccn12
InChIInChI=1S/C21H24N4O2S/c1-4-16-9-5-6-11-18(16)23-19(26)14-24(3)20(27)15(2)28-21-22-13-17-10-7-8-12-25(17)21/h5-13,15H,4,14H2,1-3H3,(H,23,26)
InChIKeySTVFXZWORKRMTR-UHFFFAOYSA-N
XLogP3.47
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 43027452
(2R)-N-(2-chlorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 40792477
2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 71856374
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 46794291
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939
(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 27507138
2-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]-N-propan-2-ylbenzamide
CID 36982823
(2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 95345101
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]propanamide
CID 78825915
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methoxy-N-methylpropanamide
CID 120983235
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55439456
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide (CID 42988681) is N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(C)Sc1ncc2ccccn12.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide?
The InChIKey is STVFXZWORKRMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-4-16-9-5-6-11-18(16)23-19(26)14-24(3)20(27)15(2)28-21-22-13-17-10-7-8-12-25(17)21/h5-13,15H,4,14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide has a molecular weight of 396.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide is sourced from PubChem (CID 42988681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).