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

C22H30N2O3S — CID 92646025

IUPAC(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C22H30N2O3S/c1-15-12-16(2)20(17(3)13-15)28(26,27)24-19(21(25)23-22(4,5)6)14-18-10-8-7-9-11-18/h7-13,19,24H,14H2,1-6H3,(H,23,25)/t19-/m1/s1
InChIKeyPTQBTFHPRJBDHF-LJQANCHMSA-N
MW402.56 g/mol
LogP3.42
Rot. Bonds6

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

(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 92646025) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID92646025
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C22H30N2O3S/c1-15-12-16(2)20(17(3)13-15)28(26,27)24-19(21(25)23-22(4,5)6)14-18-10-8-7-9-11-18/h7-13,19,24H,14H2,1-6H3,(H,23,25)/t19-/m1/s1
InChIKeyPTQBTFHPRJBDHF-LJQANCHMSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
(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
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725
(2R)-N-[(2S)-butan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646021
(2S)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 30404218
(2R)-N-[(2R)-pentan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537773
(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
(2S)-N-cyclohexyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646030
3-phenyl-N-[4-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43870653

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 92646025) is (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is PTQBTFHPRJBDHF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-15-12-16(2)20(17(3)13-15)28(26,27)24-19(21(25)23-22(4,5)6)14-18-10-8-7-9-11-18/h7-13,19,24H,14H2,1-6H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 402.56 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 92646025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).