(2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C23H32N2O3S — CID 28537773

IUPAC(2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H32N2O3S/c1-6-10-19(5)24-23(26)21(15-20-11-8-7-9-12-20)25-29(27,28)22-17(3)13-16(2)14-18(22)4/h7-9,11-14,19,21,25H,6,10,15H2,1-5H3,(H,24,26)/t19-,21-/m1/s1
InChIKeyDGYQKKIQMCHZKX-TZIWHRDSSA-N
MW416.59 g/mol
LogP3.81
Rot. Bonds9

About (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

(2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 28537773) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID28537773
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name(2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H32N2O3S/c1-6-10-19(5)24-23(26)21(15-20-11-8-7-9-12-20)25-29(27,28)22-17(3)13-16(2)14-18(22)4/h7-9,11-14,19,21,25H,6,10,15H2,1-5H3,(H,24,26)/t19-,21-/m1/s1
InChIKeyDGYQKKIQMCHZKX-TZIWHRDSSA-N
XLogP3.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646021
(2S)-N-[(2R)-1-methoxypropan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537871
(2S)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 30404218
(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646025
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725
(2R)-N,N-diethyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 30142897
(2S)-3-phenyl-N-prop-2-enyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646026
(2S)-N-(2,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537366
(2R)-N-cyclopentyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646029
(2R)-N-(2,3-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537354
(2R)-N-(4-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537449

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 28537773) is (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is DGYQKKIQMCHZKX-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-6-10-19(5)24-23(26)21(15-20-11-8-7-9-12-20)25-29(27,28)22-17(3)13-16(2)14-18(22)4/h7-9,11-14,19,21,25H,6,10,15H2,1-5H3,(H,24,26)/t19-,21-/m1/s1.
What are the key properties of (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
(2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 416.59 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 28537773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).