N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C24H24ClFN2O4S2 — CID 30278199

IUPACN-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCSc2ccc(Cl)cc2)c2ccccc2F)cc1
InChIInChI=1S/C24H24ClFN2O4S2/c1-32-19-9-13-21(14-10-19)34(30,31)28(23-6-3-2-5-22(23)26)17-24(29)27-15-4-16-33-20-11-7-18(25)8-12-20/h2-3,5-14H,4,15-17H2,1H3,(H,27,29)
InChIKeyLMZILDKKYCFANJ-UHFFFAOYSA-N
MW523.05 g/mol
LogP4.98
Rot. Bonds11

About N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 30278199) has the molecular formula C24H24ClFN2O4S2 and a molecular weight of 523.05 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID30278199
Molecular FormulaC24H24ClFN2O4S2
Molecular Weight523.05 g/mol
Exact Mass522.09
IUPAC NameN-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCSc2ccc(Cl)cc2)c2ccccc2F)cc1
InChIInChI=1S/C24H24ClFN2O4S2/c1-32-19-9-13-21(14-10-19)34(30,31)28(23-6-3-2-5-22(23)26)17-24(29)27-15-4-16-33-20-11-7-18(25)8-12-20/h2-3,5-14H,4,15-17H2,1H3,(H,27,29)
InChIKeyLMZILDKKYCFANJ-UHFFFAOYSA-N
XLogP4.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.05
LogP ≤ 54.98
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-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30278169
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30271846
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 30273400
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(3-phenylsulfanylpropyl)acetamide
CID 30206000
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30242190
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30278173
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30215375
N-(3-benzylsulfanylpropyl)-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30228980
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215711
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30220878
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43897758

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 30278199) is N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCCCSc2ccc(Cl)cc2)c2ccccc2F)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is LMZILDKKYCFANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O4S2/c1-32-19-9-13-21(14-10-19)34(30,31)28(23-6-3-2-5-22(23)26)17-24(29)27-15-4-16-33-20-11-7-18(25)8-12-20/h2-3,5-14H,4,15-17H2,1H3,(H,27,29).
What are the key properties of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 523.05 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30278199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).