2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide

C24H25FN2O4S2 — CID 30275792

IUPAC2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC(C)C)c2)c2cccc(F)c2)cc1
InChIInChI=1S/C24H25FN2O4S2/c1-17(2)31-21-9-5-7-19(15-21)26-24(28)16-27(20-8-4-6-18(25)14-20)33(29,30)23-12-10-22(32-3)11-13-23/h4-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyBMGHUSXHPJWKKQ-UHFFFAOYSA-N
MW488.61 g/mol
LogP5.17
Rot. Bonds9

About 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide

2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 30275792) has the molecular formula C24H25FN2O4S2 and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
PubChem CID30275792
Molecular FormulaC24H25FN2O4S2
Molecular Weight488.61 g/mol
Exact Mass488.12
IUPAC Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC(C)C)c2)c2cccc(F)c2)cc1
InChIInChI=1S/C24H25FN2O4S2/c1-17(2)31-21-9-5-7-19(15-21)26-24(28)16-27(20-8-4-6-18(25)14-20)33(29,30)23-12-10-22(32-3)11-13-23/h4-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyBMGHUSXHPJWKKQ-UHFFFAOYSA-N
XLogP5.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266187
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30259505
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 43899996
N-(4-butylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30270668
N-(2-ethoxyphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30259950
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(3-propan-2-yloxyphenyl)benzamide
CID 28591644
N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258861
N-(2,4-dimethylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258134
N-cyclopropyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30265654
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275822
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275804
N-[1-(2,4-dimethylphenyl)ethyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43900454

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide (CID 30275792) is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide is CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC(C)C)c2)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is BMGHUSXHPJWKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S2/c1-17(2)31-21-9-5-7-19(15-21)26-24(28)16-27(20-8-4-6-18(25)14-20)33(29,30)23-12-10-22(32-3)11-13-23/h4-15,17H,16H2,1-3H3,(H,26,28).
What are the key properties of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 488.61 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 30275792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).