N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C19H14N4O4S — CID 71728058

IUPACN-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc(S(=O)(=O)c2ccccc2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C19H14N4O4S/c24-19(16-8-13-6-7-20-11-17(13)27-16)23-12-18-21-9-15(10-22-18)28(25,26)14-4-2-1-3-5-14/h1-11H,12H2,(H,23,24)
InChIKeyOISRJPBZPITEKX-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.38
Rot. Bonds5

About N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71728058) has the molecular formula C19H14N4O4S and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71728058
Molecular FormulaC19H14N4O4S
Molecular Weight394.41 g/mol
Exact Mass394.07
IUPAC NameN-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc(S(=O)(=O)c2ccccc2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C19H14N4O4S/c24-19(16-8-13-6-7-20-11-17(13)27-16)23-12-18-21-9-15(10-22-18)28(25,26)14-4-2-1-3-5-14/h1-11H,12H2,(H,23,24)
InChIKeyOISRJPBZPITEKX-UHFFFAOYSA-N
XLogP2.38
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71728058) is N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ncc(S(=O)(=O)c2ccccc2)cn1)c1cc2ccncc2o1.
What is the InChIKey of N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is OISRJPBZPITEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4S/c24-19(16-8-13-6-7-20-11-17(13)27-16)23-12-18-21-9-15(10-22-18)28(25,26)14-4-2-1-3-5-14/h1-11H,12H2,(H,23,24).
What are the key properties of N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71728058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).