N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C24H27N3OS — CID 46559411

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCC(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CC2CCC1C2
InChIInChI=1S/C24H27N3OS/c1-16(22-13-17-5-6-19(22)12-17)25-24(28)18-7-9-21(10-8-18)29-15-20-14-27-11-3-2-4-23(27)26-20/h2-4,7-11,14,16-17,19,22H,5-6,12-13,15H2,1H3,(H,25,28)
InChIKeyKNWGVCIMLUNNCA-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.18
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 46559411) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID46559411
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCC(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CC2CCC1C2
InChIInChI=1S/C24H27N3OS/c1-16(22-13-17-5-6-19(22)12-17)25-24(28)18-7-9-21(10-8-18)29-15-20-14-27-11-3-2-4-23(27)26-20/h2-4,7-11,14,16-17,19,22H,5-6,12-13,15H2,1H3,(H,25,28)
InChIKeyKNWGVCIMLUNNCA-UHFFFAOYSA-N
XLogP5.18
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide with MolForge

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Related Compounds

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
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55513843
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-bromophenyl)sulfanylacetamide
CID 98286234
N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
CID 46514327

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 46559411) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is CC(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is KNWGVCIMLUNNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-16(22-13-17-5-6-19(22)12-17)25-24(28)18-7-9-21(10-8-18)29-15-20-14-27-11-3-2-4-23(27)26-20/h2-4,7-11,14,16-17,19,22H,5-6,12-13,15H2,1H3,(H,25,28).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 405.57 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 N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 46559411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).