(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide

C25H28N2O3S — CID 126005006

IUPAC(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-4-19(3)24(27-31(29,30)23-16-10-18(2)11-17-23)25(28)26-22-14-12-21(13-15-22)20-8-6-5-7-9-20/h5-17,19,24,27H,4H2,1-3H3,(H,26,28)/t19-,24-/m0/s1
InChIKeyLRJQFIJKACYJJS-CYFREDJKSA-N
MW436.58 g/mol
LogP4.99
Rot. Bonds8

About (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide

(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide (PubChem CID 126005006) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
PubChem CID126005006
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-4-19(3)24(27-31(29,30)23-16-10-18(2)11-17-23)25(28)26-22-14-12-21(13-15-22)20-8-6-5-7-9-20/h5-17,19,24,27H,4H2,1-3H3,(H,26,28)/t19-,24-/m0/s1
InChIKeyLRJQFIJKACYJJS-CYFREDJKSA-N
XLogP4.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]pentanamide
CID 126339303
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
CID 7448572
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide
CID 32552268
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S)-2-[[4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59483367
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606236
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 1274947

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide?
The IUPAC name of (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide (CID 126005006) is (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide?
The canonical SMILES for (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide is CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide?
The InChIKey is LRJQFIJKACYJJS-CYFREDJKSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-4-19(3)24(27-31(29,30)23-16-10-18(2)11-17-23)25(28)26-22-14-12-21(13-15-22)20-8-6-5-7-9-20/h5-17,19,24,27H,4H2,1-3H3,(H,26,28)/t19-,24-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide?
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide has a molecular weight of 436.58 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 126005006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).