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

C20H20N2O4S — CID 3238668

IUPAC5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)c1
InChIInChI=1S/C20H20N2O4S/c1-15-4-2-5-16(10-15)13-27(24,25)14-18-7-8-19(26-18)20(23)22-12-17-6-3-9-21-11-17/h2-11H,12-14H2,1H3,(H,22,23)
InChIKeyDJZFAWRHPKNMLO-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.03
Rot. Bonds7

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

5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 3238668) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID3238668
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)c1
InChIInChI=1S/C20H20N2O4S/c1-15-4-2-5-16(10-15)13-27(24,25)14-18-7-8-19(26-18)20(23)22-12-17-6-3-9-21-11-17/h2-11H,12-14H2,1H3,(H,22,23)
InChIKeyDJZFAWRHPKNMLO-UHFFFAOYSA-N
XLogP3.03
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 3238668) is 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is DJZFAWRHPKNMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-15-4-2-5-16(10-15)13-27(24,25)14-18-7-8-19(26-18)20(23)22-12-17-6-3-9-21-11-17/h2-11H,12-14H2,1H3,(H,22,23).
What are the key properties of 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3238668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).