5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide

C16H18ClNO5S — CID 4084510

IUPAC5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClNO5S/c1-22-9-8-18-16(19)15-7-6-14(23-15)11-24(20,21)10-12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3,(H,18,19)
InChIKeyIKRGYOINSWNWGT-UHFFFAOYSA-N
MW371.84 g/mol
LogP2.42
Rot. Bonds8

About 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide

5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 4084510) has the molecular formula C16H18ClNO5S and a molecular weight of 371.84 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID4084510
Molecular FormulaC16H18ClNO5S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC Name5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClNO5S/c1-22-9-8-18-16(19)15-7-6-14(23-15)11-24(20,21)10-12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3,(H,18,19)
InChIKeyIKRGYOINSWNWGT-UHFFFAOYSA-N
XLogP2.42
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063
N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 5049846
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 44820958
5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 4104667
5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 20899418
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
methyl 5-(benzylsulfonylmethyl)furan-2-carboxylate
CID 127244389
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 20859726
5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 24524461
N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 3241769
N-butyl-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 4107785

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 4084510) is 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is IKRGYOINSWNWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO5S/c1-22-9-8-18-16(19)15-7-6-14(23-15)11-24(20,21)10-12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3,(H,18,19).
What are the key properties of 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 371.84 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 4084510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).