N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

C15H23FN2O3S2 — CID 2290624

IUPACN-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-7-5-12(16)6-8-13/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyXRKDWEAHGXWONL-UHFFFAOYSA-N
MW362.49 g/mol
LogP2.24
Rot. Bonds7

About N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 2290624) has the molecular formula C15H23FN2O3S2 and a molecular weight of 362.49 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID2290624
Molecular FormulaC15H23FN2O3S2
Molecular Weight362.49 g/mol
Exact Mass362.11
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-7-5-12(16)6-8-13/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyXRKDWEAHGXWONL-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 2290624) is N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is CC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is XRKDWEAHGXWONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-7-5-12(16)6-8-13/h5-8H,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 362.49 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2290624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).