N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide

C20H17F2NO4S — CID 3236852

IUPACN-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C20H17F2NO4S/c21-16-7-5-14(6-8-16)11-23-20(24)19-10-9-17(27-19)13-28(25,26)12-15-3-1-2-4-18(15)22/h1-10H,11-13H2,(H,23,24)
InChIKeyNIVSMJLLQIGXHI-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.60
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide

N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide (PubChem CID 3236852) has the molecular formula C20H17F2NO4S and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
PubChem CID3236852
Molecular FormulaC20H17F2NO4S
Molecular Weight405.42 g/mol
Exact Mass405.08
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C20H17F2NO4S/c21-16-7-5-14(6-8-16)11-23-20(24)19-10-9-17(27-19)13-28(25,26)12-15-3-1-2-4-18(15)22/h1-10H,11-13H2,(H,23,24)
InChIKeyNIVSMJLLQIGXHI-UHFFFAOYSA-N
XLogP3.60
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide (CID 3236852) is N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
The InChIKey is NIVSMJLLQIGXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4S/c21-16-7-5-14(6-8-16)11-23-20(24)19-10-9-17(27-19)13-28(25,26)12-15-3-1-2-4-18(15)22/h1-10H,11-13H2,(H,23,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 3236852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).