(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide

C22H20BrFN2O3S — CID 92645922

IUPAC(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(F)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H20BrFN2O3S/c1-15-7-10-18(24)14-20(15)25-22(27)21(13-16-5-3-2-4-6-16)26-30(28,29)19-11-8-17(23)9-12-19/h2-12,14,21,26H,13H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyNEWCJTWRCLOGDW-OAQYLSRUSA-N
MW491.38 g/mol
LogP4.42
Rot. Bonds7

About (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide (PubChem CID 92645922) has the molecular formula C22H20BrFN2O3S and a molecular weight of 491.38 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide
PubChem CID92645922
Molecular FormulaC22H20BrFN2O3S
Molecular Weight491.38 g/mol
Exact Mass490.04
IUPAC Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(F)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H20BrFN2O3S/c1-15-7-10-18(24)14-20(15)25-22(27)21(13-16-5-3-2-4-6-16)26-30(28,29)19-11-8-17(23)9-12-19/h2-12,14,21,26H,13H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyNEWCJTWRCLOGDW-OAQYLSRUSA-N
XLogP4.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540746
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
CID 28540720
(2R)-N-(5-fluoro-2-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542319
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540838
(2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540516
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 28541028
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
(2R)-N-(2,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538824
(2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167574

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide (CID 92645922) is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide is Cc1ccc(F)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide?
The InChIKey is NEWCJTWRCLOGDW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20BrFN2O3S/c1-15-7-10-18(24)14-20(15)25-22(27)21(13-16-5-3-2-4-6-16)26-30(28,29)19-11-8-17(23)9-12-19/h2-12,14,21,26H,13H2,1H3,(H,25,27)/t21-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide?
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide has a molecular weight of 491.38 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 92645922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).