5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C19H18N2O4S — CID 3244296

IUPAC5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1
InChIInChI=1S/C19H18N2O4S/c1-14-5-2-3-7-18(14)26(23,24)13-16-8-9-17(25-16)19(22)21-12-15-6-4-10-20-11-15/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeySAQRCKBWXNUJGM-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.89
Rot. Bonds6

About 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 3244296) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID3244296
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1
InChIInChI=1S/C19H18N2O4S/c1-14-5-2-3-7-18(14)26(23,24)13-16-8-9-17(25-16)19(22)21-12-15-6-4-10-20-11-15/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeySAQRCKBWXNUJGM-UHFFFAOYSA-N
XLogP2.89
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 3244296) is 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1.
What is the InChIKey of 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is SAQRCKBWXNUJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-14-5-2-3-7-18(14)26(23,24)13-16-8-9-17(25-16)19(22)21-12-15-6-4-10-20-11-15/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3244296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).