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

C16H18ClNO4S — CID 20899418

IUPAC5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CS(=O)Cc2ccccc2Cl)o1
InChIInChI=1S/C16H18ClNO4S/c1-21-9-8-18-16(19)15-7-6-13(22-15)11-23(20)10-12-4-2-3-5-14(12)17/h2-7H,8-11H2,1H3,(H,18,19)
InChIKeyFDKJWTQQOMGEJW-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.76
Rot. Bonds8

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

5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 20899418) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID20899418
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CS(=O)Cc2ccccc2Cl)o1
InChIInChI=1S/C16H18ClNO4S/c1-21-9-8-18-16(19)15-7-6-13(22-15)11-23(20)10-12-4-2-3-5-14(12)17/h2-7H,8-11H2,1H3,(H,18,19)
InChIKeyFDKJWTQQOMGEJW-UHFFFAOYSA-N
XLogP2.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899338
N-[[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]methyl]propan-1-amine
CID 103290400
5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510
[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 20899400
5-[(4-methylphenyl)methylsulfinylmethyl]-N-propylfuran-2-carboxamide
CID 20899328
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
methyl 2-[(2-chlorophenyl)methylsulfinylmethyl]benzoate
CID 103289225
1-[(2-chlorophenyl)methylsulfinyl]-3-(2-methoxyethylamino)propan-2-ol
CID 103291641
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde
CID 103291215
N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 20899418) is 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCNC(=O)c1ccc(CS(=O)Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is FDKJWTQQOMGEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-21-9-8-18-16(19)15-7-6-13(22-15)11-23(20)10-12-4-2-3-5-14(12)17/h2-7H,8-11H2,1H3,(H,18,19).
What are the key properties of 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 355.84 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 20899418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).