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

C20H25FN2O3S2 — CID 43899996

IUPAC2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C20H25FN2O3S2/c1-4-6-15(2)22-20(24)14-23(17-8-5-7-16(21)13-17)28(25,26)19-11-9-18(27-3)10-12-19/h5,7-13,15H,4,6,14H2,1-3H3,(H,22,24)
InChIKeyHOLUKEKGJHZYEW-UHFFFAOYSA-N
MW424.56 g/mol
LogP4.05
Rot. Bonds9

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

2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide (PubChem CID 43899996) has the molecular formula C20H25FN2O3S2 and a molecular weight of 424.56 g/mol. Its IUPAC name is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
PubChem CID43899996
Molecular FormulaC20H25FN2O3S2
Molecular Weight424.56 g/mol
Exact Mass424.13
IUPAC Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C20H25FN2O3S2/c1-4-6-15(2)22-20(24)14-23(17-8-5-7-16(21)13-17)28(25,26)19-11-9-18(27-3)10-12-19/h5,7-13,15H,4,6,14H2,1-3H3,(H,22,24)
InChIKeyHOLUKEKGJHZYEW-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43900534
N-[1-(2,4-dimethylphenyl)ethyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43900454
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266187
N-cyclopropyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30265654
N-(4-butylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30270668
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275792
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 30263816
N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258861
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
CID 21372246
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30259505
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide (CID 43899996) is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide?
The InChIKey is HOLUKEKGJHZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S2/c1-4-6-15(2)22-20(24)14-23(17-8-5-7-16(21)13-17)28(25,26)19-11-9-18(27-3)10-12-19/h5,7-13,15H,4,6,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide?
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide has a molecular weight of 424.56 g/mol, XLogP of 4.05, 9 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-pentan-2-ylacetamide is sourced from PubChem (CID 43899996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).