(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide

C25H28N2O4S — CID 28539747

IUPAC(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-18-9-12-21(13-10-18)17-26-25(28)22(16-20-7-5-4-6-8-20)27-32(29,30)24-15-19(2)11-14-23(24)31-3/h4-15,22,27H,16-17H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyWVVOUZGCRGHNKB-JOCHJYFZSA-N
MW452.58 g/mol
LogP3.52
Rot. Bonds9

About (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide

(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide (PubChem CID 28539747) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
PubChem CID28539747
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-18-9-12-21(13-10-18)17-26-25(28)22(16-20-7-5-4-6-8-20)27-32(29,30)24-15-19(2)11-14-23(24)31-3/h4-15,22,27H,16-17H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyWVVOUZGCRGHNKB-JOCHJYFZSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 28539814
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28538144
N-butyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871027
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 43871126
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28539840
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 28540451
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 43871158
(2R)-N-(2,6-diethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540304
(2S)-N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide (CID 28539747) is (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide is COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide?
The InChIKey is WVVOUZGCRGHNKB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18-9-12-21(13-10-18)17-26-25(28)22(16-20-7-5-4-6-8-20)27-32(29,30)24-15-19(2)11-14-23(24)31-3/h4-15,22,27H,16-17H2,1-3H3,(H,26,28)/t22-/m1/s1.
What are the key properties of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide?
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide has a molecular weight of 452.58 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 28539747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).