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

C22H21FN2O3S — CID 28540720

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3S/c1-16-7-5-6-10-20(16)24-22(26)21(15-17-8-3-2-4-9-17)25-29(27,28)19-13-11-18(23)12-14-19/h2-14,21,25H,15H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyYOVXLSDCTYDFJR-NRFANRHFSA-N
MW412.49 g/mol
LogP3.66
Rot. Bonds7

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

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide (PubChem CID 28540720) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
PubChem CID28540720
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3S/c1-16-7-5-6-10-20(16)24-22(26)21(15-17-8-3-2-4-9-17)25-29(27,28)19-13-11-18(23)12-14-19/h2-14,21,25H,15H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyYOVXLSDCTYDFJR-NRFANRHFSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.66
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)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 92645922
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 28541028
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
(2R)-N-(5-fluoro-2-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542319
2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42702728
(2S)-N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541415
N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871247
N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide (CID 28540720) is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide is Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide?
The InChIKey is YOVXLSDCTYDFJR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-16-7-5-6-10-20(16)24-22(26)21(15-17-8-3-2-4-9-17)25-29(27,28)19-13-11-18(23)12-14-19/h2-14,21,25H,15H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide?
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide has a molecular weight of 412.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 28540720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).