5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide

C16H16ClNO2S — CID 4651694

IUPAC5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CSCc2ccccc2Cl)o1
InChIInChI=1S/C16H16ClNO2S/c17-14-4-2-1-3-11(14)9-21-10-13-7-8-15(20-13)16(19)18-12-5-6-12/h1-4,7-8,12H,5-6,9-10H2,(H,18,19)
InChIKeyTXHXIMGYVPSYFT-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.26
Rot. Bonds6

About 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide

5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 4651694) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID4651694
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CSCc2ccccc2Cl)o1
InChIInChI=1S/C16H16ClNO2S/c17-14-4-2-1-3-11(14)9-21-10-13-7-8-15(20-13)16(19)18-12-5-6-12/h1-4,7-8,12H,5-6,9-10H2,(H,18,19)
InChIKeyTXHXIMGYVPSYFT-UHFFFAOYSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide (CID 4651694) is 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide is O=C(NC1CC1)c1ccc(CSCc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is TXHXIMGYVPSYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-14-4-2-1-3-11(14)9-21-10-13-7-8-15(20-13)16(19)18-12-5-6-12/h1-4,7-8,12H,5-6,9-10H2,(H,18,19).
What are the key properties of 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide?
5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 4651694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).