N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C26H25N3O4S — CID 66610729

IUPACN-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCCCC3)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C26H25N3O4S/c30-26(24-15-20-11-12-27-18-25(20)33-24)28-17-19-7-9-22(10-8-19)34(31,32)23-6-4-5-21(16-23)29-13-2-1-3-14-29/h4-12,15-16,18H,1-3,13-14,17H2,(H,28,30)
InChIKeyNZRHVTBDSWZURP-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.58
Rot. Bonds6

About N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 66610729) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID66610729
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCCCC3)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C26H25N3O4S/c30-26(24-15-20-11-12-27-18-25(20)33-24)28-17-19-7-9-22(10-8-19)34(31,32)23-6-4-5-21(16-23)29-13-2-1-3-14-29/h4-12,15-16,18H,1-3,13-14,17H2,(H,28,30)
InChIKeyNZRHVTBDSWZURP-UHFFFAOYSA-N
XLogP4.58
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 66610729) is N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCCCC3)c2)cc1)c1cc2ccncc2o1.
What is the InChIKey of N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is NZRHVTBDSWZURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c30-26(24-15-20-11-12-27-18-25(20)33-24)28-17-19-7-9-22(10-8-19)34(31,32)23-6-4-5-21(16-23)29-13-2-1-3-14-29/h4-12,15-16,18H,1-3,13-14,17H2,(H,28,30).
What are the key properties of N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 66610729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).