5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H17N3O4S — CID 71727929

IUPAC5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESNc1cc2cc(C(=O)NCc3ccc(S(=O)(=O)c4ccccc4)cc3)oc2cn1
InChIInChI=1S/C21H17N3O4S/c22-20-11-15-10-18(28-19(15)13-23-20)21(25)24-12-14-6-8-17(9-7-14)29(26,27)16-4-2-1-3-5-16/h1-11,13H,12H2,(H2,22,23)(H,24,25)
InChIKeyUANNNKPTIJQKIO-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.17
Rot. Bonds5

About 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71727929) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71727929
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESNc1cc2cc(C(=O)NCc3ccc(S(=O)(=O)c4ccccc4)cc3)oc2cn1
InChIInChI=1S/C21H17N3O4S/c22-20-11-15-10-18(28-19(15)13-23-20)21(25)24-12-14-6-8-17(9-7-14)29(26,27)16-4-2-1-3-5-16/h1-11,13H,12H2,(H2,22,23)(H,24,25)
InChIKeyUANNNKPTIJQKIO-UHFFFAOYSA-N
XLogP3.17
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71727929) is 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is Nc1cc2cc(C(=O)NCc3ccc(S(=O)(=O)c4ccccc4)cc3)oc2cn1.
What is the InChIKey of 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UANNNKPTIJQKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c22-20-11-15-10-18(28-19(15)13-23-20)21(25)24-12-14-6-8-17(9-7-14)29(26,27)16-4-2-1-3-5-16/h1-11,13H,12H2,(H2,22,23)(H,24,25).
What are the key properties of 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71727929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).