2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C22H23FN2O4S3 — CID 30266590

IUPAC2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccco2)c2cccc(F)c2)cc1
InChIInChI=1S/C22H23FN2O4S3/c1-30-20-7-9-21(10-8-20)32(27,28)25(18-5-2-4-17(23)14-18)15-22(26)24-11-13-31-16-19-6-3-12-29-19/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,26)
InChIKeyPHAMKAZZQJJRBC-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.39
Rot. Bonds11

About 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 30266590) has the molecular formula C22H23FN2O4S3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID30266590
Molecular FormulaC22H23FN2O4S3
Molecular Weight494.64 g/mol
Exact Mass494.08
IUPAC Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccco2)c2cccc(F)c2)cc1
InChIInChI=1S/C22H23FN2O4S3/c1-30-20-7-9-21(10-8-20)32(27,28)25(18-5-2-4-17(23)14-18)15-22(26)24-11-13-31-16-19-6-3-12-29-19/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,26)
InChIKeyPHAMKAZZQJJRBC-UHFFFAOYSA-N
XLogP4.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 30263009
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 43896762
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30242826
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 126172296
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30212767
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 17313004
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30202137
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266187
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271609
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30176489
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 92664005
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 30263816

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 30266590) is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is CSc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccco2)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is PHAMKAZZQJJRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S3/c1-30-20-7-9-21(10-8-20)32(27,28)25(18-5-2-4-17(23)14-18)15-22(26)24-11-13-31-16-19-6-3-12-29-19/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,26).
What are the key properties of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 494.64 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 30266590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).