3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide

C22H26N4O2S — CID 25330826

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCSCc2cn3ccccc3n2)c(C)c1
InChIInChI=1S/C22H26N4O2S/c1-15-10-16(2)22(17(3)11-15)25-21(28)12-23-20(27)7-9-29-14-18-13-26-8-5-4-6-19(26)24-18/h4-6,8,10-11,13H,7,9,12,14H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyUISGKDPUGZWVHZ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.64
Rot. Bonds8

About 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide

3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide (PubChem CID 25330826) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
PubChem CID25330826
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCSCc2cn3ccccc3n2)c(C)c1
InChIInChI=1S/C22H26N4O2S/c1-15-10-16(2)22(17(3)11-15)25-21(28)12-23-20(27)7-9-29-14-18-13-26-8-5-4-6-19(26)24-18/h4-6,8,10-11,13H,7,9,12,14H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyUISGKDPUGZWVHZ-UHFFFAOYSA-N
XLogP3.64
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55515621
N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
CID 18152499
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
CID 25405951
3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 18268026
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine
CID 84603021
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4,6-dimethylpyridin-2-amine
CID 4702007
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119269153
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84569535
[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanoate
CID 95345703
2-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]sulfanylacetic acid
CID 120770556

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide (CID 25330826) is 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide is Cc1cc(C)c(NC(=O)CNC(=O)CCSCc2cn3ccccc3n2)c(C)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
The InChIKey is UISGKDPUGZWVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-10-16(2)22(17(3)11-15)25-21(28)12-23-20(27)7-9-29-14-18-13-26-8-5-4-6-19(26)24-18/h4-6,8,10-11,13H,7,9,12,14H2,1-3H3,(H,23,27)(H,25,28).
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide has a molecular weight of 410.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide is sourced from PubChem (CID 25330826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).