Skip to content

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide

C21H20FNO4S — CID 9162240

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2ccco2)c1
InChIInChI=1S/C21H20FNO4S/c1-14-5-6-15(2)19(12-14)28(25,26)20(18-4-3-11-27-18)13-23-21(24)16-7-9-17(22)10-8-16/h3-12,20H,13H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyZOKCMTIUTIADPO-HXUWFJFHSA-N
MW401.46 g/mol
LogP3.98
Rot. Bonds6

About N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide (PubChem CID 9162240) has the molecular formula C21H20FNO4S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
PubChem CID9162240
Molecular FormulaC21H20FNO4S
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2ccco2)c1
InChIInChI=1S/C21H20FNO4S/c1-14-5-6-15(2)19(12-14)28(25,26)20(18-4-3-11-27-18)13-23-21(24)16-7-9-17(22)10-8-16/h3-12,20H,13H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyZOKCMTIUTIADPO-HXUWFJFHSA-N
XLogP3.98
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide 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-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide (CID 9162240) is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide is Cc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)cc2)c2ccco2)c1.
What is the InChIKey of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide?
The InChIKey is ZOKCMTIUTIADPO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20FNO4S/c1-14-5-6-15(2)19(12-14)28(25,26)20(18-4-3-11-27-18)13-23-21(24)16-7-9-17(22)10-8-16/h3-12,20H,13H2,1-2H3,(H,23,24)/t20-/m1/s1.
What are the key properties of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide?
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide has a molecular weight of 401.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 9162240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.