(2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

C23H22F2N2O4S — CID 30167574

IUPAC(2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C23H22F2N2O4S/c1-2-31-18-9-11-19(12-10-18)32(29,30)27-22(14-16-6-4-3-5-7-16)23(28)26-21-13-8-17(24)15-20(21)25/h3-13,15,22,27H,2,14H2,1H3,(H,26,28)/t22-/m1/s1
InChIKeyZVZKOWQOJAHJLD-JOCHJYFZSA-N
MW460.50 g/mol
LogP3.89
Rot. Bonds9

About (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

(2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 30167574) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID30167574
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC Name(2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C23H22F2N2O4S/c1-2-31-18-9-11-19(12-10-18)32(29,30)27-22(14-16-6-4-3-5-7-16)23(28)26-21-13-8-17(24)15-20(21)25/h3-13,15,22,27H,2,14H2,1H3,(H,26,28)/t22-/m1/s1
InChIKeyZVZKOWQOJAHJLD-JOCHJYFZSA-N
XLogP3.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide 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
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
2-[(4-ethoxyphenyl)sulfonylamino]-N-naphthalen-1-yl-3-phenylpropanamide
CID 43891455
N-(4-chlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891461
N-(3,5-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891475
N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871247
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891448
methyl 2-[[2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]-4,5-dimethoxybenzoate
CID 43889170
dimethyl 5-[[(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94862963
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 30167574) is (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is ZVZKOWQOJAHJLD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-2-31-18-9-11-19(12-10-18)32(29,30)27-22(14-16-6-4-3-5-7-16)23(28)26-21-13-8-17(24)15-20(21)25/h3-13,15,22,27H,2,14H2,1H3,(H,26,28)/t22-/m1/s1.
What are the key properties of (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
(2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 460.50 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 30167574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).