4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

C25H27N3O4S — CID 122323379

IUPAC4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccc(C)c4n3)ccc2OC)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-5-15-32-20-9-11-21(12-10-20)33(29,30)27-22-16-19(8-13-24(22)31-3)23-17-28-14-6-7-18(2)25(28)26-23/h6-14,16-17,27H,4-5,15H2,1-3H3
InChIKeyMBRZNAKQQQVWIH-UHFFFAOYSA-N
MW465.58 g/mol
LogP5.30
Rot. Bonds9

About 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 122323379) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID122323379
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccc(C)c4n3)ccc2OC)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-5-15-32-20-9-11-21(12-10-20)33(29,30)27-22-16-19(8-13-24(22)31-3)23-17-28-14-6-7-18(2)25(28)26-23/h6-14,16-17,27H,4-5,15H2,1-3H3
InChIKeyMBRZNAKQQQVWIH-UHFFFAOYSA-N
XLogP5.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 23608343
4-acetyl-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122323524
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide
CID 122323583
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122323556
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122323542
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 6494240
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122323301
4-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122323097
4-butoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055781
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzenesulfonamide
CID 25038187
4-butoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055736
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methylbenzamide
CID 122323314

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (CID 122323379) is 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccc(C)c4n3)ccc2OC)cc1.
What is the InChIKey of 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is MBRZNAKQQQVWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-5-15-32-20-9-11-21(12-10-20)33(29,30)27-22-16-19(8-13-24(22)31-3)23-17-28-14-6-7-18(2)25(28)26-23/h6-14,16-17,27H,4-5,15H2,1-3H3.
What are the key properties of 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122323379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).