5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide

C16H18ClNO2S — CID 4533619

IUPAC5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(CSCc2ccccc2Cl)o1
InChIInChI=1S/C16H18ClNO2S/c1-11(2)18-16(19)15-8-7-13(20-15)10-21-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyAYOWKWCLVZLDER-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.50
Rot. Bonds6

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

5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 4533619) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID4533619
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(CSCc2ccccc2Cl)o1
InChIInChI=1S/C16H18ClNO2S/c1-11(2)18-16(19)15-8-7-13(20-15)10-21-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyAYOWKWCLVZLDER-UHFFFAOYSA-N
XLogP4.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.50
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-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide (CID 4533619) is 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(CSCc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is AYOWKWCLVZLDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-11(2)18-16(19)15-8-7-13(20-15)10-21-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide?
5-[(2-chlorophenyl)methylsulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 4.50, 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-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 4533619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).