2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C16H18ClNO2S — CID 112790538

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CSCc2cccc(Cl)c2)o1
InChIInChI=1S/C16H18ClNO2S/c1-12-6-7-15(20-12)9-18(2)16(19)11-21-10-13-4-3-5-14(17)8-13/h3-8H,9-11H2,1-2H3
InChIKeyZGBQLNZOTDFSNT-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.13
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 112790538) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID112790538
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CSCc2cccc(Cl)c2)o1
InChIInChI=1S/C16H18ClNO2S/c1-12-6-7-15(20-12)9-18(2)16(19)11-21-10-13-4-3-5-14(17)8-13/h3-8H,9-11H2,1-2H3
InChIKeyZGBQLNZOTDFSNT-UHFFFAOYSA-N
XLogP4.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 112790538) is 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CSCc2cccc(Cl)c2)o1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is ZGBQLNZOTDFSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-12-6-7-15(20-12)9-18(2)16(19)11-21-10-13-4-3-5-14(17)8-13/h3-8H,9-11H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 323.85 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 112790538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).