N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide

C18H21N5O4S — CID 53021032

IUPACN-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide
SMILESCOCCn1c(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)nc2cccnc21
InChIInChI=1S/C18H21N5O4S/c1-13(24)21-14-5-7-15(8-6-14)28(25,26)20-12-17-22-16-4-3-9-19-18(16)23(17)10-11-27-2/h3-9,20H,10-12H2,1-2H3,(H,21,24)
InChIKeyBSDMXLKCDMHNIH-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.51
Rot. Bonds8

About N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide

N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide (PubChem CID 53021032) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide
PubChem CID53021032
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide
SMILESCOCCn1c(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)nc2cccnc21
InChIInChI=1S/C18H21N5O4S/c1-13(24)21-14-5-7-15(8-6-14)28(25,26)20-12-17-22-16-4-3-9-19-18(16)23(17)10-11-27-2/h3-9,20H,10-12H2,1-2H3,(H,21,24)
InChIKeyBSDMXLKCDMHNIH-UHFFFAOYSA-N
XLogP1.51
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 50762311
4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021048
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-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021057
N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 46286493
4-methoxy-N-[[3-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53020721
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576
N-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53013036
N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide
CID 90556439

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide (CID 53021032) is N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide is COCCn1c(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)nc2cccnc21.
What is the InChIKey of N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is BSDMXLKCDMHNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-13(24)21-14-5-7-15(8-6-14)28(25,26)20-12-17-22-16-4-3-9-19-18(16)23(17)10-11-27-2/h3-9,20H,10-12H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 403.46 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 53021032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).