N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide

C29H28N4O3S — CID 42602773

IUPACN-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(-n2cnc3cc(N(Cc4ccc(CC)cc4)S(=O)(=O)c4ccccc4)cnc32)cc1
InChIInChI=1S/C29H28N4O3S/c1-3-22-10-12-23(13-11-22)20-33(37(34,35)27-8-6-5-7-9-27)25-18-28-29(30-19-25)32(21-31-28)24-14-16-26(17-15-24)36-4-2/h5-19,21H,3-4,20H2,1-2H3
InChIKeyCPQCCZOGSDGOPX-UHFFFAOYSA-N
MW512.64 g/mol
LogP5.78
Rot. Bonds9

About N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide

N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide (PubChem CID 42602773) has the molecular formula C29H28N4O3S and a molecular weight of 512.64 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide
PubChem CID42602773
Molecular FormulaC29H28N4O3S
Molecular Weight512.64 g/mol
Exact Mass512.19
IUPAC NameN-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(-n2cnc3cc(N(Cc4ccc(CC)cc4)S(=O)(=O)c4ccccc4)cnc32)cc1
InChIInChI=1S/C29H28N4O3S/c1-3-22-10-12-23(13-11-22)20-33(37(34,35)27-8-6-5-7-9-27)25-18-28-29(30-19-25)32(21-31-28)24-14-16-26(17-15-24)36-4-2/h5-19,21H,3-4,20H2,1-2H3
InChIKeyCPQCCZOGSDGOPX-UHFFFAOYSA-N
XLogP5.78
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.64
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]methanesulfonamide
CID 42602700
3-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71521093
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide
CID 30169640
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 99950546
N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19576918
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
CID 4105425
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide (CID 42602773) is N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide is CCOc1ccc(-n2cnc3cc(N(Cc4ccc(CC)cc4)S(=O)(=O)c4ccccc4)cnc32)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
The InChIKey is CPQCCZOGSDGOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3S/c1-3-22-10-12-23(13-11-22)20-33(37(34,35)27-8-6-5-7-9-27)25-18-28-29(30-19-25)32(21-31-28)24-14-16-26(17-15-24)36-4-2/h5-19,21H,3-4,20H2,1-2H3.
What are the key properties of N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide has a molecular weight of 512.64 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-N-[(4-ethylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42602773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).