2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide

C23H21N3OS — CID 71802014

IUPAC2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide
SMILESO=C(CSCc1ccccc1)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C23H21N3OS/c27-23(18-28-17-19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)16-21-15-24-22-13-7-8-14-25(21)22/h1-15H,16-18H2
InChIKeyGVCWPADIJFSFKM-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.80
Rot. Bonds7

About 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide

2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide (PubChem CID 71802014) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide
PubChem CID71802014
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide
SMILESO=C(CSCc1ccccc1)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C23H21N3OS/c27-23(18-28-17-19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)16-21-15-24-22-13-7-8-14-25(21)22/h1-15H,16-18H2
InChIKeyGVCWPADIJFSFKM-UHFFFAOYSA-N
XLogP4.80
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide?
The IUPAC name of 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide (CID 71802014) is 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide is O=C(CSCc1ccccc1)N(Cc1cnc2ccccn12)c1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide?
The InChIKey is GVCWPADIJFSFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-23(18-28-17-19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)16-21-15-24-22-13-7-8-14-25(21)22/h1-15H,16-18H2.
What are the key properties of 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide?
2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide has a molecular weight of 387.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide is sourced from PubChem (CID 71802014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).