N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide

C27H32N4O3S — CID 10529180

IUPACN-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C27H32N4O3S/c1-5-6-11-24-29-22-16-17-28-26(32)25(22)31(24)18-19-12-14-20(15-13-19)21-9-7-8-10-23(21)35(33,34)30-27(2,3)4/h7-10,12-17,30H,5-6,11,18H2,1-4H3,(H,28,32)
InChIKeyUTQZDIQLJDHFKQ-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.86
Rot. Bonds8

About N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide

N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 10529180) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
PubChem CID10529180
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C27H32N4O3S/c1-5-6-11-24-29-22-16-17-28-26(32)25(22)31(24)18-19-12-14-20(15-13-19)21-9-7-8-10-23(21)35(33,34)30-27(2,3)4/h7-10,12-17,30H,5-6,11,18H2,1-4H3,(H,28,32)
InChIKeyUTQZDIQLJDHFKQ-UHFFFAOYSA-N
XLogP4.86
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10385241
2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 19349843
4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid
CID 19349828
N-tert-butyl-2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide
CID 10393533
2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile
CID 19349807
2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67882947
2-[4-[(2-butyl-5-cyano-4-methoxyimidazol-1-yl)methyl]phenyl]-N-cyanobenzenesulfonamide
CID 18400072
N-tert-butyl-3-[4-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 139612983
3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one
CID 19349858
methyl 3-[[4-[2-(benzylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazole-4-carboxylate
CID 86745955
2-butyl-3-[[2-[2-(1-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67880833
[2-[4-[[2-butyl-7-(propylamino)benzimidazol-1-yl]methyl]phenyl]phenyl] hydrogen carbonate
CID 67756161

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide (CID 10529180) is N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide is CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is UTQZDIQLJDHFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-5-6-11-24-29-22-16-17-28-26(32)25(22)31(24)18-19-12-14-20(15-13-19)21-9-7-8-10-23(21)35(33,34)30-27(2,3)4/h7-10,12-17,30H,5-6,11,18H2,1-4H3,(H,28,32).
What are the key properties of N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide?
N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 492.65 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10529180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).