N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide

C16H16FNO4S — CID 139002364

IUPACN-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)o1
InChIInChI=1S/C16H16FNO4S/c1-23(20,21)10-11-6-7-14(22-11)15(19)18-16(8-9-16)12-4-2-3-5-13(12)17/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyGVYPZGGBCCLWJV-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.38
Rot. Bonds5

About N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide

N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide (PubChem CID 139002364) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
PubChem CID139002364
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC NameN-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)o1
InChIInChI=1S/C16H16FNO4S/c1-23(20,21)10-11-6-7-14(22-11)15(19)18-16(8-9-16)12-4-2-3-5-13(12)17/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyGVYPZGGBCCLWJV-UHFFFAOYSA-N
XLogP2.38
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide (CID 139002364) is N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide is CS(=O)(=O)Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)o1.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
The InChIKey is GVYPZGGBCCLWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-23(20,21)10-11-6-7-14(22-11)15(19)18-16(8-9-16)12-4-2-3-5-13(12)17/h2-7H,8-10H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide is sourced from PubChem (CID 139002364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).