N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide

C20H18FNO4S — CID 20962937

IUPACN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)c2ccccc2)c2ccco2)ccc1F
InChIInChI=1S/C20H18FNO4S/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/h2-12,19H,13H2,1H3,(H,22,23)
InChIKeyFQKLQTFGMJTUCS-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide (PubChem CID 20962937) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
PubChem CID20962937
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)c2ccccc2)c2ccco2)ccc1F
InChIInChI=1S/C20H18FNO4S/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/h2-12,19H,13H2,1H3,(H,22,23)
InChIKeyFQKLQTFGMJTUCS-UHFFFAOYSA-N
XLogP3.67
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 26792820
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]adamantane-1-carboxamide
CID 43981223
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41128885
3-chloro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268253
3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268254
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 40774983
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
CID 22584447
4-fluoro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 41193186
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9160400

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide (CID 20962937) is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide is Cc1cc(S(=O)(=O)C(CNC(=O)c2ccccc2)c2ccco2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is FQKLQTFGMJTUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/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/h2-12,19H,13H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide?
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 387.43 g/mol, XLogP of 3.67, 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-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 20962937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).