2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide

C20H25FN2O3S — CID 86886859

IUPAC2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O3S/c1-13-9-10-15(20(2,3)4)12-17(13)27(25,26)23(5)18(19(22)24)14-7-6-8-16(21)11-14/h6-12,18H,1-5H3,(H2,22,24)
InChIKeyVWENMGJWVVSGLS-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.28
Rot. Bonds5

About 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide

2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide (PubChem CID 86886859) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide
PubChem CID86886859
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O3S/c1-13-9-10-15(20(2,3)4)12-17(13)27(25,26)23(5)18(19(22)24)14-7-6-8-16(21)11-14/h6-12,18H,1-5H3,(H2,22,24)
InChIKeyVWENMGJWVVSGLS-UHFFFAOYSA-N
XLogP3.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide (CID 86886859) is 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide?
The InChIKey is VWENMGJWVVSGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-13-9-10-15(20(2,3)4)12-17(13)27(25,26)23(5)18(19(22)24)14-7-6-8-16(21)11-14/h6-12,18H,1-5H3,(H2,22,24).
What are the key properties of 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide?
2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-2-methylphenyl)sulfonyl-methylamino]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 86886859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).