(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide

C24H25FN2O4S — CID 30165341

IUPAC(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C24H25FN2O4S/c1-3-31-23-14-13-21(15-17(23)2)32(29,30)27-22(16-18-7-5-4-6-8-18)24(28)26-20-11-9-19(25)10-12-20/h4-15,22,27H,3,16H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyRWGOYGHTFZHMKN-QFIPXVFZSA-N
MW456.54 g/mol
LogP4.06
Rot. Bonds9

About (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide

(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide (PubChem CID 30165341) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide
PubChem CID30165341
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C24H25FN2O4S/c1-3-31-23-14-13-21(15-17(23)2)32(29,30)27-22(16-18-7-5-4-6-8-18)24(28)26-20-11-9-19(25)10-12-20/h4-15,22,27H,3,16H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyRWGOYGHTFZHMKN-QFIPXVFZSA-N
XLogP4.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 30165324
(2S)-N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165429
(2S)-N-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165304
N-(2,6-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890868
(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 94862945
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43889132
dimethyl 5-[[(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94862927
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 30165111
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 43890809
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)-3-phenylpropanamide
CID 43890898
N-benzhydryl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide (CID 30165341) is (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)cc1C.
What is the InChIKey of (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide?
The InChIKey is RWGOYGHTFZHMKN-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-3-31-23-14-13-21(15-17(23)2)32(29,30)27-22(16-18-7-5-4-6-8-18)24(28)26-20-11-9-19(25)10-12-20/h4-15,22,27H,3,16H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide?
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide has a molecular weight of 456.54 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 30165341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).