4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C23H23N5O3S — CID 20916291

IUPAC4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1-n1c(C)nc2cccnc21
InChIInChI=1S/C23H23N5O3S/c1-15-5-8-18(14-21(15)28-16(2)27-20-4-3-12-25-22(20)28)23(29)26-13-11-17-6-9-19(10-7-17)32(24,30)31/h3-10,12,14H,11,13H2,1-2H3,(H,26,29)(H2,24,30,31)
InChIKeyACDYSODSNDJARX-UHFFFAOYSA-N
MW449.54 g/mol
LogP2.66
Rot. Bonds6

About 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 20916291) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID20916291
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1-n1c(C)nc2cccnc21
InChIInChI=1S/C23H23N5O3S/c1-15-5-8-18(14-21(15)28-16(2)27-20-4-3-12-25-22(20)28)23(29)26-13-11-17-6-9-19(10-7-17)32(24,30)31/h3-10,12,14H,11,13H2,1-2H3,(H,26,29)(H2,24,30,31)
InChIKeyACDYSODSNDJARX-UHFFFAOYSA-N
XLogP2.66
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332
N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
CID 146077356
2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 20916194
4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 50758284
[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 46277321
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1346453
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
3-imidazo[4,5-b]pyridin-3-yl-4-methyl-N-(3-phenylpropyl)benzamide
CID 46277287

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 20916291) is 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1-n1c(C)nc2cccnc21.
What is the InChIKey of 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is ACDYSODSNDJARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15-5-8-18(14-21(15)28-16(2)27-20-4-3-12-25-22(20)28)23(29)26-13-11-17-6-9-19(10-7-17)32(24,30)31/h3-10,12,14H,11,13H2,1-2H3,(H,26,29)(H2,24,30,31).
What are the key properties of 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 449.54 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 20916291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).