4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

C22H28N4O2S — CID 53022536

IUPAC4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C22H28N4O2S/c1-22(2,3)16-10-12-18(13-11-16)29(27,28)24-15-20-25-19-9-6-14-23-21(19)26(20)17-7-4-5-8-17/h6,9-14,17,24H,4-5,7-8,15H2,1-3H3
InChIKeyBCVSFRZOUKVEEE-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.32
Rot. Bonds5

About 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 53022536) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID53022536
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C22H28N4O2S/c1-22(2,3)16-10-12-18(13-11-16)29(27,28)24-15-20-25-19-9-6-14-23-21(19)26(20)17-7-4-5-8-17/h6,9-14,17,24H,4-5,7-8,15H2,1-3H3
InChIKeyBCVSFRZOUKVEEE-UHFFFAOYSA-N
XLogP4.32
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide
CID 53022486
N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide
CID 53022532
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide
CID 53022499
N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide
CID 53022556
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53022535
3-chloro-N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 53011007
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53010984
4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 53022592
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021024
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (CID 53022536) is 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is BCVSFRZOUKVEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-22(2,3)16-10-12-18(13-11-16)29(27,28)24-15-20-25-19-9-6-14-23-21(19)26(20)17-7-4-5-8-17/h6,9-14,17,24H,4-5,7-8,15H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53022536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).