N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C47H43N5O9S2 — CID 90013012

IUPACN-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCCCOc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)c1.COc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C25H25N3O4S.C22H18N2O5S/c1-2-3-15-32-21-5-4-6-23(16-21)33(30,31)22-10-7-19(8-11-22)17-27-25(29)20-9-12-24-26-13-14-28(24)18-20;1-28-18-4-2-3-5-21(18)30(26,27)17-8-6-15(7-9-17)13-24-22(25)19-12-16-10-11-23-14-20(16)29-19/h4-14,16,18H,2-3,15,17H2,1H3,(H,27,29);2-12,14H,13H2,1H3,(H,24,25)
InChIKeyFHCPLLXINGSPLE-UHFFFAOYSA-N
MW886.02 g/mol
LogP7.88
Rot. Bonds15

About N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90013012) has the molecular formula C47H43N5O9S2 and a molecular weight of 886.02 g/mol. Its IUPAC name is N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90013012
Molecular FormulaC47H43N5O9S2
Molecular Weight886.02 g/mol
Exact Mass885.25
IUPAC NameN-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCCCOc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)c1.COc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C25H25N3O4S.C22H18N2O5S/c1-2-3-15-32-21-5-4-6-23(16-21)33(30,31)22-10-7-19(8-11-22)17-27-25(29)20-9-12-24-26-13-14-28(24)18-20;1-28-18-4-2-3-5-21(18)30(26,27)17-8-6-15(7-9-17)13-24-22(25)19-12-16-10-11-23-14-20(16)29-19/h4-14,16,18H,2-3,15,17H2,1H3,(H,27,29);2-12,14H,13H2,1H3,(H,24,25)
InChIKeyFHCPLLXINGSPLE-UHFFFAOYSA-N
XLogP7.88
TPSA188.27 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500886.02
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90013012) is N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CCCCOc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)c1.COc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1.
What is the InChIKey of N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is FHCPLLXINGSPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S.C22H18N2O5S/c1-2-3-15-32-21-5-4-6-23(16-21)33(30,31)22-10-7-19(8-11-22)17-27-25(29)20-9-12-24-26-13-14-28(24)18-20;1-28-18-4-2-3-5-21(18)30(26,27)17-8-6-15(7-9-17)13-24-22(25)19-12-16-10-11-23-14-20(16)29-19/h4-14,16,18H,2-3,15,17H2,1H3,(H,27,29);2-12,14H,13H2,1H3,(H,24,25).
What are the key properties of N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 886.02 g/mol, XLogP of 7.88, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-butoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90013012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).