N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide

C14H14ClNO2S — CID 2338254

IUPACN-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)NCc1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S/c15-13-6-2-1-4-11(13)8-16-14(17)10-19-9-12-5-3-7-18-12/h1-7H,8-10H2,(H,16,17)
InChIKeyJUVRXXKQPFASGH-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.48
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide

N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 2338254) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID2338254
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)NCc1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S/c15-13-6-2-1-4-11(13)8-16-14(17)10-19-9-12-5-3-7-18-12/h1-7H,8-10H2,(H,16,17)
InChIKeyJUVRXXKQPFASGH-UHFFFAOYSA-N
XLogP3.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide (CID 2338254) is N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide is O=C(CSCc1ccco1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is JUVRXXKQPFASGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-13-6-2-1-4-11(13)8-16-14(17)10-19-9-12-5-3-7-18-12/h1-7H,8-10H2,(H,16,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 295.79 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 2338254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).