(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide

C23H31NO4S — CID 100724187

IUPAC(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H31NO4S/c1-7-21(18-9-11-19(12-10-18)29(6,26)27)24-23(25)17(5)28-22-14-16(4)8-13-20(22)15(2)3/h8-15,17,21H,7H2,1-6H3,(H,24,25)/t17-,21+/m1/s1
InChIKeyYQRCDCMIZJGHLZ-UTKZUKDTSA-N
MW417.57 g/mol
LogP4.56
Rot. Bonds8

About (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide

(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide (PubChem CID 100724187) has the molecular formula C23H31NO4S and a molecular weight of 417.57 g/mol. Its IUPAC name is (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
PubChem CID100724187
Molecular FormulaC23H31NO4S
Molecular Weight417.57 g/mol
Exact Mass417.20
IUPAC Name(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H31NO4S/c1-7-21(18-9-11-19(12-10-18)29(6,26)27)24-23(25)17(5)28-22-14-16(4)8-13-20(22)15(2)3/h8-15,17,21H,7H2,1-6H3,(H,24,25)/t17-,21+/m1/s1
InChIKeyYQRCDCMIZJGHLZ-UTKZUKDTSA-N
XLogP4.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 94057718
(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100738763
(2R)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92675498
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160250
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
N-[1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133202798
(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100588926
2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165674
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The IUPAC name of (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide (CID 100724187) is (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The canonical SMILES for (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide is CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The InChIKey is YQRCDCMIZJGHLZ-UTKZUKDTSA-N. The full InChI is InChI=1S/C23H31NO4S/c1-7-21(18-9-11-19(12-10-18)29(6,26)27)24-23(25)17(5)28-22-14-16(4)8-13-20(22)15(2)3/h8-15,17,21H,7H2,1-6H3,(H,24,25)/t17-,21+/m1/s1.
What are the key properties of (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide has a molecular weight of 417.57 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide is sourced from PubChem (CID 100724187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).