2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide

C25H21FN2O3S2 — CID 30259505

IUPAC2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cccc(F)c2)cc1
InChIInChI=1S/C25H21FN2O3S2/c1-32-23-11-13-24(14-12-23)33(30,31)28(22-8-4-7-20(26)16-22)17-25(29)27-21-10-9-18-5-2-3-6-19(18)15-21/h2-16H,17H2,1H3,(H,27,29)
InChIKeyNDCJFMRMVPKLNR-UHFFFAOYSA-N
MW480.59 g/mol
LogP5.53
Rot. Bonds7

About 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide

2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide (PubChem CID 30259505) has the molecular formula C25H21FN2O3S2 and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
PubChem CID30259505
Molecular FormulaC25H21FN2O3S2
Molecular Weight480.59 g/mol
Exact Mass480.10
IUPAC Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cccc(F)c2)cc1
InChIInChI=1S/C25H21FN2O3S2/c1-32-23-11-13-24(14-12-23)33(30,31)28(22-8-4-7-20(26)16-22)17-25(29)27-21-10-9-18-5-2-3-6-19(18)15-21/h2-16H,17H2,1H3,(H,27,29)
InChIKeyNDCJFMRMVPKLNR-UHFFFAOYSA-N
XLogP5.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(3-propan-2-yloxyphenyl)acetamide
CID 30275792
N-(4-butylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30270668
N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258861
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-naphthalen-2-ylacetamide
CID 1103810
N-(2,4-dimethylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258134
N-(2-ethoxyphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30259950
N-cyclopropyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30265654
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-naphthalen-2-ylacetamide
CID 126387449
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 43899996
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 30263009
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 30270285

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide (CID 30259505) is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide is CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide?
The InChIKey is NDCJFMRMVPKLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3S2/c1-32-23-11-13-24(14-12-23)33(30,31)28(22-8-4-7-20(26)16-22)17-25(29)27-21-10-9-18-5-2-3-6-19(18)15-21/h2-16H,17H2,1H3,(H,27,29).
What are the key properties of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide?
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide has a molecular weight of 480.59 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 30259505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).