3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide

C15H13F3N2O4S — CID 72687765

IUPAC3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C15H13F3N2O4S/c1-25(22,23)20-12-6-4-10(15(16,17)18)9-13(12)19-14(21)7-5-11-3-2-8-24-11/h2-9,20H,1H3,(H,19,21)
InChIKeyDJUGHXFKSOTZIP-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.32
Rot. Bonds5

About 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide

3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 72687765) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID72687765
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C15H13F3N2O4S/c1-25(22,23)20-12-6-4-10(15(16,17)18)9-13(12)19-14(21)7-5-11-3-2-8-24-11/h2-9,20H,1H3,(H,19,21)
InChIKeyDJUGHXFKSOTZIP-UHFFFAOYSA-N
XLogP3.32
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide 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

3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 1280315
(E)-3-(furan-2-yl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enamide
CID 2572495
(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2683689
(Z)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide
CID 155258550
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119775808
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
3-fluoro-4-[3-(furan-2-yl)prop-2-enoylamino]benzoic acid
CID 76988155
(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 103274604
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide
CID 159699398
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 72687765) is 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide is CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is DJUGHXFKSOTZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-25(22,23)20-12-6-4-10(15(16,17)18)9-13(12)19-14(21)7-5-11-3-2-8-24-11/h2-9,20H,1H3,(H,19,21).
What are the key properties of 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 374.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 72687765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).