N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide

C32H41N5O3S — CID 19754056

IUPACN-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide
SMILESCCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C32H41N5O3S/c1-6-8-14-29-35-27-20-25(34-30(38)15-9-7-2)21-33-31(27)37(29)22-23-16-18-24(19-17-23)26-12-10-11-13-28(26)41(39,40)36-32(3,4)5/h10-13,16-21,36H,6-9,14-15,22H2,1-5H3,(H,34,38)
InChIKeyBNVWLDBZSFZYIG-UHFFFAOYSA-N
MW575.78 g/mol
LogP6.69
Rot. Bonds12

About N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide

N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide (PubChem CID 19754056) has the molecular formula C32H41N5O3S and a molecular weight of 575.78 g/mol. Its IUPAC name is N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide.

Molecular Properties

Compound NameN-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide
PubChem CID19754056
Molecular FormulaC32H41N5O3S
Molecular Weight575.78 g/mol
Exact Mass575.29
IUPAC NameN-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide
SMILESCCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C32H41N5O3S/c1-6-8-14-29-35-27-20-25(34-30(38)15-9-7-2)21-33-31(27)37(29)22-23-16-18-24(19-17-23)26-12-10-11-13-28(26)41(39,40)36-32(3,4)5/h10-13,16-21,36H,6-9,14-15,22H2,1-5H3,(H,34,38)
InChIKeyBNVWLDBZSFZYIG-UHFFFAOYSA-N
XLogP6.69
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.78
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide?
The IUPAC name of N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide (CID 19754056) is N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide.
What is the SMILES notation for N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide?
The canonical SMILES for N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide is CCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide?
The InChIKey is BNVWLDBZSFZYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O3S/c1-6-8-14-29-35-27-20-25(34-30(38)15-9-7-2)21-33-31(27)37(29)22-23-16-18-24(19-17-23)26-12-10-11-13-28(26)41(39,40)36-32(3,4)5/h10-13,16-21,36H,6-9,14-15,22H2,1-5H3,(H,34,38).
What are the key properties of N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide?
N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide has a molecular weight of 575.78 g/mol, XLogP of 6.69, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-3-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide is sourced from PubChem (CID 19754056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).