N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide

C20H24FNO3S2 — CID 20962879

IUPACN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)C2CCCCC2)c2cccs2)ccc1F
InChIInChI=1S/C20H24FNO3S2/c1-14-12-16(9-10-17(14)21)27(24,25)19(18-8-5-11-26-18)13-22-20(23)15-6-3-2-4-7-15/h5,8-12,15,19H,2-4,6-7,13H2,1H3,(H,22,23)
InChIKeyLILXCKLGPDZBPD-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.41
Rot. Bonds6

About N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide (PubChem CID 20962879) has the molecular formula C20H24FNO3S2 and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide
PubChem CID20962879
Molecular FormulaC20H24FNO3S2
Molecular Weight409.55 g/mol
Exact Mass409.12
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)C2CCCCC2)c2cccs2)ccc1F
InChIInChI=1S/C20H24FNO3S2/c1-14-12-16(9-10-17(14)21)27(24,25)19(18-8-5-11-26-18)13-22-20(23)15-6-3-2-4-7-15/h5,8-12,15,19H,2-4,6-7,13H2,1H3,(H,22,23)
InChIKeyLILXCKLGPDZBPD-UHFFFAOYSA-N
XLogP4.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide 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-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide (CID 20962879) is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide is Cc1cc(S(=O)(=O)C(CNC(=O)C2CCCCC2)c2cccs2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide?
The InChIKey is LILXCKLGPDZBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S2/c1-14-12-16(9-10-17(14)21)27(24,25)19(18-8-5-11-26-18)13-22-20(23)15-6-3-2-4-7-15/h5,8-12,15,19H,2-4,6-7,13H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide?
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide has a molecular weight of 409.55 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 20962879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).