(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide

C26H30N2O5S — CID 28540451

IUPAC(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C26H30N2O5S/c1-18-14-15-24(33-4)25(16-18)34(30,31)28-22(17-20-10-6-5-7-11-20)26(29)27-19(2)21-12-8-9-13-23(21)32-3/h5-16,19,22,28H,17H2,1-4H3,(H,27,29)/t19-,22+/m1/s1
InChIKeyTZNBLUVHWTWHCQ-KNQAVFIVSA-N
MW482.60 g/mol
LogP3.78
Rot. Bonds10

About (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide

(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide (PubChem CID 28540451) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
PubChem CID28540451
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C26H30N2O5S/c1-18-14-15-24(33-4)25(16-18)34(30,31)28-22(17-20-10-6-5-7-11-20)26(29)27-19(2)21-12-8-9-13-23(21)32-3/h5-16,19,22,28H,17H2,1-4H3,(H,27,29)/t19-,22+/m1/s1
InChIKeyTZNBLUVHWTWHCQ-KNQAVFIVSA-N
XLogP3.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 43871158
(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
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
N-butyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871027
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28539840
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 28540088
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 43871101
(2S)-N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539687
(2R)-N-(2,6-diethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540304
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 43871126
N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871149

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide (CID 28540451) is (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide is COc1ccccc1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is TZNBLUVHWTWHCQ-KNQAVFIVSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-18-14-15-24(33-4)25(16-18)34(30,31)28-22(17-20-10-6-5-7-11-20)26(29)27-19(2)21-12-8-9-13-23(21)32-3/h5-16,19,22,28H,17H2,1-4H3,(H,27,29)/t19-,22+/m1/s1.
What are the key properties of (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide?
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 482.60 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 28540451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).