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

C20H23N3O2S — CID 90570427

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C20H23N3O2S/c24-26(25,19-11-5-2-6-12-19)23(17-9-3-1-4-10-17)16-18-15-21-20-13-7-8-14-22(18)20/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2
InChIKeyZQBRBMLLTRQKIA-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.00
Rot. Bonds5

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

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide (PubChem CID 90570427) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide
PubChem CID90570427
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C20H23N3O2S/c24-26(25,19-11-5-2-6-12-19)23(17-9-3-1-4-10-17)16-18-15-21-20-13-7-8-14-22(18)20/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2
InChIKeyZQBRBMLLTRQKIA-UHFFFAOYSA-N
XLogP4.00
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide (CID 90570427) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide is O=S(=O)(C1CCCCC1)N(Cc1cnc2ccccn12)c1ccccc1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide?
The InChIKey is ZQBRBMLLTRQKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-26(25,19-11-5-2-6-12-19)23(17-9-3-1-4-10-17)16-18-15-21-20-13-7-8-14-22(18)20/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide is sourced from PubChem (CID 90570427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).