4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

C23H23N3OS2 — CID 46514505

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1cccs1
InChIInChI=1S/C23H23N3OS2/c1-16(2)22(20-6-5-13-28-20)25-23(27)17-8-10-19(11-9-17)29-15-18-14-26-12-4-3-7-21(26)24-18/h3-14,16,22H,15H2,1-2H3,(H,25,27)
InChIKeyANLBJYWTOHCWKU-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.82
Rot. Bonds7

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (PubChem CID 46514505) has the molecular formula C23H23N3OS2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
PubChem CID46514505
Molecular FormulaC23H23N3OS2
Molecular Weight421.59 g/mol
Exact Mass421.13
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1cccs1
InChIInChI=1S/C23H23N3OS2/c1-16(2)22(20-6-5-13-28-20)25-23(27)17-8-10-19(11-9-17)29-15-18-14-26-12-4-3-7-21(26)24-18/h3-14,16,22H,15H2,1-2H3,(H,25,27)
InChIKeyANLBJYWTOHCWKU-UHFFFAOYSA-N
XLogP5.82
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 55523045
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 46559411
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)benzamide
CID 35823533
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037219
N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119616671
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 56572139
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55513843

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (CID 46514505) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is CC(C)C(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1cccs1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The InChIKey is ANLBJYWTOHCWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS2/c1-16(2)22(20-6-5-13-28-20)25-23(27)17-8-10-19(11-9-17)29-15-18-14-26-12-4-3-7-21(26)24-18/h3-14,16,22H,15H2,1-2H3,(H,25,27).
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide has a molecular weight of 421.59 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 46514505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).