3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide

C26H28N4O3S — CID 32831947

IUPAC3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3cn4ccccc4n3)c2)cc1
InChIInChI=1S/C26H28N4O3S/c1-2-3-7-20-11-13-22(14-12-20)29-34(32,33)24-9-6-8-21(18-24)26(31)27-16-15-23-19-30-17-5-4-10-25(30)28-23/h4-6,8-14,17-19,29H,2-3,7,15-16H2,1H3,(H,27,31)
InChIKeyPLTFMYVJBVEFAH-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.45
Rot. Bonds10

About 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide

3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide (PubChem CID 32831947) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
PubChem CID32831947
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3cn4ccccc4n3)c2)cc1
InChIInChI=1S/C26H28N4O3S/c1-2-3-7-20-11-13-22(14-12-20)29-34(32,33)24-9-6-8-21(18-24)26(31)27-16-15-23-19-30-17-5-4-10-25(30)28-23/h4-6,8-14,17-19,29H,2-3,7,15-16H2,1H3,(H,27,31)
InChIKeyPLTFMYVJBVEFAH-UHFFFAOYSA-N
XLogP4.45
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430428
3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 55347238
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide
CID 98348593
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387130
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethoxybenzamide
CID 41463533
3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258622
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 55430189

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide (CID 32831947) is 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide is CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3cn4ccccc4n3)c2)cc1.
What is the InChIKey of 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide?
The InChIKey is PLTFMYVJBVEFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-2-3-7-20-11-13-22(14-12-20)29-34(32,33)24-9-6-8-21(18-24)26(31)27-16-15-23-19-30-17-5-4-10-25(30)28-23/h4-6,8-14,17-19,29H,2-3,7,15-16H2,1H3,(H,27,31).
What are the key properties of 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide?
3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide has a molecular weight of 476.60 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 32831947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).