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

C24H25FN2O4S — CID 28540516

IUPAC(2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C24H25FN2O4S/c1-16-9-12-22(31-3)23(13-16)32(29,30)27-21(14-18-7-5-4-6-8-18)24(28)26-20-15-19(25)11-10-17(20)2/h4-13,15,21,27H,14H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyOPSZSFJWDRSGNB-OAQYLSRUSA-N
MW456.54 g/mol
LogP3.98
Rot. Bonds8

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

(2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 28540516) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is (2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID28540516
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name(2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C24H25FN2O4S/c1-16-9-12-22(31-3)23(13-16)32(29,30)27-21(14-18-7-5-4-6-8-18)24(28)26-20-15-19(25)11-10-17(20)2/h4-13,15,21,27H,14H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyOPSZSFJWDRSGNB-OAQYLSRUSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
(2S)-N-(2,5-difluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540498
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891324
(2R)-N-(5-fluoro-2-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542319
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 28541028
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28539840
N-(2,4-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871086
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540016
(2S)-N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540746
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 28540088
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 43871101

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 28540516) is (2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of (2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is OPSZSFJWDRSGNB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-16-9-12-22(31-3)23(13-16)32(29,30)27-21(14-18-7-5-4-6-8-18)24(28)26-20-15-19(25)11-10-17(20)2/h4-13,15,21,27H,14H2,1-3H3,(H,26,28)/t21-/m1/s1.
What are the key properties of (2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide?
(2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 456.54 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 28540516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).