(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide

C24H25FN2O3S2 — CID 28541376

IUPAC(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
SMILESCSc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O3S2/c1-17(19-8-12-21(31-2)13-9-19)26-24(28)23(16-18-6-4-3-5-7-18)27-32(29,30)22-14-10-20(25)11-15-22/h3-15,17,23,27H,16H2,1-2H3,(H,26,28)/t17-,23+/m0/s1
InChIKeyUJXLKAHFYQIQOM-GAJHUEQPSA-N
MW472.61 g/mol
LogP4.31
Rot. Bonds9

About (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide

(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide (PubChem CID 28541376) has the molecular formula C24H25FN2O3S2 and a molecular weight of 472.61 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
PubChem CID28541376
Molecular FormulaC24H25FN2O3S2
Molecular Weight472.61 g/mol
Exact Mass472.13
IUPAC Name(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
SMILESCSc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O3S2/c1-17(19-8-12-21(31-2)13-9-19)26-24(28)23(16-18-6-4-3-5-7-18)27-32(29,30)22-14-10-20(25)11-15-22/h3-15,17,23,27H,16H2,1-2H3,(H,26,28)/t17-,23+/m0/s1
InChIKeyUJXLKAHFYQIQOM-GAJHUEQPSA-N
XLogP4.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28541378
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28539576
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 43906642
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 41374254
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
2-[(4-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 43871290
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 92645807
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 92645898
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 43889138
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28543081

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide (CID 28541376) is (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide is CSc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is UJXLKAHFYQIQOM-GAJHUEQPSA-N. The full InChI is InChI=1S/C24H25FN2O3S2/c1-17(19-8-12-21(31-2)13-9-19)26-24(28)23(16-18-6-4-3-5-7-18)27-32(29,30)22-14-10-20(25)11-15-22/h3-15,17,23,27H,16H2,1-2H3,(H,26,28)/t17-,23+/m0/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide?
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 472.61 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 28541376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).