(2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide

C24H22F4N2O3S — CID 118222646

IUPAC(2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide
SMILESC[C@@H](NCS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H22F4N2O3S/c1-16(30-15-34(32,33)22-11-9-21(25)10-12-22)23(31)29-14-17-3-2-4-19(13-17)18-5-7-20(8-6-18)24(26,27)28/h2-13,16,30H,14-15H2,1H3,(H,29,31)/t16-/m1/s1
InChIKeyRDCXGCARKNXONX-MRXNPFEDSA-N
MW494.51 g/mol
LogP4.54
Rot. Bonds8

About (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide

(2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide (PubChem CID 118222646) has the molecular formula C24H22F4N2O3S and a molecular weight of 494.51 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide
PubChem CID118222646
Molecular FormulaC24H22F4N2O3S
Molecular Weight494.51 g/mol
Exact Mass494.13
IUPAC Name(2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide
SMILESC[C@@H](NCS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H22F4N2O3S/c1-16(30-15-34(32,33)22-11-9-21(25)10-12-22)23(31)29-14-17-3-2-4-19(13-17)18-5-7-20(8-6-18)24(26,27)28/h2-13,16,30H,14-15H2,1H3,(H,29,31)/t16-/m1/s1
InChIKeyRDCXGCARKNXONX-MRXNPFEDSA-N
XLogP4.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]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

2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide
CID 118222699
(2S)-2-[(4-fluorophenyl)sulfanyl-methylamino]-3-methyl-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]butanamide
CID 134300329
(2S)-1-(4-fluorophenyl)sulfonyl-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydropyrrole-2-carboxamide
CID 66832445
2-[2-(4-chlorophenyl)sulfonylethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]prop-2-enamide
CID 90384268
2-[(4-chlorophenyl)sulfonyl-ethylamino]-2-cyclopropyl-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 78321490
2-bromo-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 118222623
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
1-[3-(4-fluorophenyl)prop-2-enylsulfonyl-methylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 174775094
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide (CID 118222646) is (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide is C[C@@H](NCS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide?
The InChIKey is RDCXGCARKNXONX-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22F4N2O3S/c1-16(30-15-34(32,33)22-11-9-21(25)10-12-22)23(31)29-14-17-3-2-4-19(13-17)18-5-7-20(8-6-18)24(26,27)28/h2-13,16,30H,14-15H2,1H3,(H,29,31)/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide?
(2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide has a molecular weight of 494.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)sulfonylmethylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide is sourced from PubChem (CID 118222646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).