2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide

C15H16ClNO3S — CID 51168884

IUPAC2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCCOc1cccc(Cl)c1)NCc1ccco1
InChIInChI=1S/C15H16ClNO3S/c16-12-3-1-4-13(9-12)20-7-8-21-11-15(18)17-10-14-5-2-6-19-14/h1-6,9H,7-8,10-11H2,(H,17,18)
InChIKeyBYRDGEHGCREHNZ-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.36
Rot. Bonds8

About 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 51168884) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID51168884
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCCOc1cccc(Cl)c1)NCc1ccco1
InChIInChI=1S/C15H16ClNO3S/c16-12-3-1-4-13(9-12)20-7-8-21-11-15(18)17-10-14-5-2-6-19-14/h1-6,9H,7-8,10-11H2,(H,17,18)
InChIKeyBYRDGEHGCREHNZ-UHFFFAOYSA-N
XLogP3.36
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
1-[(3-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19276507
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 2477739
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31543702
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168885
2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol
CID 43416970
2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54824747
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 51168884) is 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSCCOc1cccc(Cl)c1)NCc1ccco1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is BYRDGEHGCREHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c16-12-3-1-4-13(9-12)20-7-8-21-11-15(18)17-10-14-5-2-6-19-14/h1-6,9H,7-8,10-11H2,(H,17,18).
What are the key properties of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 325.82 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51168884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).