2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C23H21N3OS — CID 134050030

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1ccc(CSCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C23H21N3OS/c1-17-10-12-18(13-11-17)15-28-16-21(27)25-23-22(19-7-3-2-4-8-19)24-20-9-5-6-14-26(20)23/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyOPKMIEMUEPEGQH-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.18
Rot. Bonds6

About 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 134050030) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID134050030
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1ccc(CSCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C23H21N3OS/c1-17-10-12-18(13-11-17)15-28-16-21(27)25-23-22(19-7-3-2-4-8-19)24-20-9-5-6-14-26(20)23/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyOPKMIEMUEPEGQH-UHFFFAOYSA-N
XLogP5.18
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694050
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pentanamide
CID 42694061
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylsulfanylacetamide
CID 42693934
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
CID 42694065
3-cyclopentyl-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 42694053
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150
2-methyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 965390
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694066
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-(4-fluorophenyl)acetamide
CID 42693738
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 1261878

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 134050030) is 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is Cc1ccc(CSCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is OPKMIEMUEPEGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-17-10-12-18(13-11-17)15-28-16-21(27)25-23-22(19-7-3-2-4-8-19)24-20-9-5-6-14-26(20)23/h2-14H,15-16H2,1H3,(H,25,27).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 134050030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).