5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide

C19H17ClN2O4S — CID 3243022

IUPAC5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H17ClN2O4S/c20-15-6-4-14(5-7-15)12-27(24,25)13-17-8-9-18(26-17)19(23)22-11-16-3-1-2-10-21-16/h1-10H,11-13H2,(H,22,23)
InChIKeyYAPVENQWKYUXGK-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.37
Rot. Bonds7

About 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide

5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 3243022) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID3243022
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C19H17ClN2O4S/c20-15-6-4-14(5-7-15)12-27(24,25)13-17-8-9-18(26-17)19(23)22-11-16-3-1-2-10-21-16/h1-10H,11-13H2,(H,22,23)
InChIKeyYAPVENQWKYUXGK-UHFFFAOYSA-N
XLogP3.37
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide (CID 3243022) is 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide is O=C(NCc1ccccn1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is YAPVENQWKYUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c20-15-6-4-14(5-7-15)12-27(24,25)13-17-8-9-18(26-17)19(23)22-11-16-3-1-2-10-21-16/h1-10H,11-13H2,(H,22,23).
What are the key properties of 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 404.88 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3243022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).