N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide

C18H22N4O2S — CID 53022481

IUPACN-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC)cc1
InChIInChI=1S/C18H22N4O2S/c1-3-6-14-8-10-15(11-9-14)25(23,24)20-13-17-21-16-7-5-12-19-18(16)22(17)4-2/h5,7-12,20H,3-4,6,13H2,1-2H3
InChIKeyAYENQSIHHKEQSY-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.88
Rot. Bonds7

About N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide

N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide (PubChem CID 53022481) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
PubChem CID53022481
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC)cc1
InChIInChI=1S/C18H22N4O2S/c1-3-6-14-8-10-15(11-9-14)25(23,24)20-13-17-21-16-7-5-12-19-18(16)22(17)4-2/h5,7-12,20H,3-4,6,13H2,1-2H3
InChIKeyAYENQSIHHKEQSY-UHFFFAOYSA-N
XLogP2.88
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-propylbenzenesulfonamide
CID 53021069
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 53021036
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 50762290
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 53022466
4-methoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021057
4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide
CID 156599914
N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53020746
3,4-dimethyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53022572
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 53022471

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide (CID 53022481) is N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC)cc1.
What is the InChIKey of N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is AYENQSIHHKEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-3-6-14-8-10-15(11-9-14)25(23,24)20-13-17-21-16-7-5-12-19-18(16)22(17)4-2/h5,7-12,20H,3-4,6,13H2,1-2H3.
What are the key properties of N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide?
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 358.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 53022481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).