5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C19H23NO5S — CID 3242867

IUPAC5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCC2CCCO2)o1
InChIInChI=1S/C19H23NO5S/c1-14-5-2-3-6-15(14)12-26(22,23)13-17-8-9-18(25-17)19(21)20-11-16-7-4-10-24-16/h2-3,5-6,8-9,16H,4,7,10-13H2,1H3,(H,20,21)
InChIKeyPWKHMUFGWJOUGY-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.61
Rot. Bonds7

About 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 3242867) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID3242867
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCC2CCCO2)o1
InChIInChI=1S/C19H23NO5S/c1-14-5-2-3-6-15(14)12-26(22,23)13-17-8-9-18(25-17)19(21)20-11-16-7-4-10-24-16/h2-3,5-6,8-9,16H,4,7,10-13H2,1H3,(H,20,21)
InChIKeyPWKHMUFGWJOUGY-UHFFFAOYSA-N
XLogP2.61
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 3242867) is 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCC2CCCO2)o1.
What is the InChIKey of 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is PWKHMUFGWJOUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-14-5-2-3-6-15(14)12-26(22,23)13-17-8-9-18(25-17)19(21)20-11-16-7-4-10-24-16/h2-3,5-6,8-9,16H,4,7,10-13H2,1H3,(H,20,21).
What are the key properties of 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylsulfonylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3242867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).