2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide

C24H23F3N2O4S — CID 43889132

IUPAC2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C24H23F3N2O4S/c1-3-33-21-12-9-17(13-15(21)2)34(31,32)29-20(14-16-7-5-4-6-8-16)24(30)28-19-11-10-18(25)22(26)23(19)27/h4-13,20,29H,3,14H2,1-2H3,(H,28,30)
InChIKeySFXZSIGWDDIROR-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.34
Rot. Bonds9

About 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide

2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 43889132) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID43889132
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Name2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C24H23F3N2O4S/c1-3-33-21-12-9-17(13-15(21)2)34(31,32)29-20(14-16-7-5-4-6-8-16)24(30)28-19-11-10-18(25)22(26)23(19)27/h4-13,20,29H,3,14H2,1-2H3,(H,28,30)
InChIKeySFXZSIGWDDIROR-UHFFFAOYSA-N
XLogP4.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide 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

(2S)-N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165429
(2S)-N-(2,4-dichlorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165399
N-(2,6-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890868
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890914
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide
CID 30165341
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 28538818
(2S)-N-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165304
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 28539595
(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165489
dimethyl 5-[[(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94862927
(2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 92645963
(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 94862945

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide (CID 43889132) is 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide is CCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2F)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is SFXZSIGWDDIROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-3-33-21-12-9-17(13-15(21)2)34(31,32)29-20(14-16-7-5-4-6-8-16)24(30)28-19-11-10-18(25)22(26)23(19)27/h4-13,20,29H,3,14H2,1-2H3,(H,28,30).
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide?
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 492.52 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 43889132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).