N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide

C17H25FN2O3S2 — CID 2956895

IUPACN-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O3S2/c1-25(22,23)20(15-7-5-6-14(18)12-15)13-17(21)19-10-11-24-16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,19,21)
InChIKeyRKONPYXJQYAELT-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.77
Rot. Bonds8

About N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide

N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 2956895) has the molecular formula C17H25FN2O3S2 and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID2956895
Molecular FormulaC17H25FN2O3S2
Molecular Weight388.53 g/mol
Exact Mass388.13
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O3S2/c1-25(22,23)20(15-7-5-6-14(18)12-15)13-17(21)19-10-11-24-16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,19,21)
InChIKeyRKONPYXJQYAELT-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide (CID 2956895) is N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc(F)c1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is RKONPYXJQYAELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S2/c1-25(22,23)20(15-7-5-6-14(18)12-15)13-17(21)19-10-11-24-16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,19,21).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 388.53 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2956895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).