(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide

C22H28N2O5S — CID 28539803

IUPAC(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H28N2O5S/c1-16-10-11-20(28-2)21(13-16)30(26,27)24-19(14-17-7-4-3-5-8-17)22(25)23-15-18-9-6-12-29-18/h3-5,7-8,10-11,13,18-19,24H,6,9,12,14-15H2,1-2H3,(H,23,25)/t18-,19+/m0/s1
InChIKeyUHCBVQSKAJOAPL-RBUKOAKNSA-N
MW432.54 g/mol
LogP2.19
Rot. Bonds9

About (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide

(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide (PubChem CID 28539803) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
PubChem CID28539803
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H28N2O5S/c1-16-10-11-20(28-2)21(13-16)30(26,27)24-19(14-17-7-4-3-5-8-17)22(25)23-15-18-9-6-12-29-18/h3-5,7-8,10-11,13,18-19,24H,6,9,12,14-15H2,1-2H3,(H,23,25)/t18-,19+/m0/s1
InChIKeyUHCBVQSKAJOAPL-RBUKOAKNSA-N
XLogP2.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 28541625
(2S)-N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539687
(2S)-N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540372
N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871149
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
N-butyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871027
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 28539814
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 43871126
2-methoxy-5-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 43888990
(2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 126338611

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide (CID 28539803) is (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide is COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is UHCBVQSKAJOAPL-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16-10-11-20(28-2)21(13-16)30(26,27)24-19(14-17-7-4-3-5-8-17)22(25)23-15-18-9-6-12-29-18/h3-5,7-8,10-11,13,18-19,24H,6,9,12,14-15H2,1-2H3,(H,23,25)/t18-,19+/m0/s1.
What are the key properties of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide?
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 432.54 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 28539803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).