(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide

C19H23NO4S — CID 40843072

IUPAC(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-13-5-9-17(10-6-13)24-15(3)19(21)20-14(2)16-7-11-18(12-8-16)25(4,22)23/h5-12,14-15H,1-4H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyCTMAWSLDHYTWET-HUUCEWRRSA-N
MW361.46 g/mol
LogP3.04
Rot. Bonds6

About (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide

(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 40843072) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID40843072
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-13-5-9-17(10-6-13)24-15(3)19(21)20-14(2)16-7-11-18(12-8-16)25(4,22)23/h5-12,14-15H,1-4H3,(H,20,21)/t14-,15-/m1/s1
InChIKeyCTMAWSLDHYTWET-HUUCEWRRSA-N
XLogP3.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165675
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165674
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 94057718
2-amino-2-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 120666863
N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187740
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
2-(3,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165649
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94013055
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 40843072) is (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide is Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is CTMAWSLDHYTWET-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13-5-9-17(10-6-13)24-15(3)19(21)20-14(2)16-7-11-18(12-8-16)25(4,22)23/h5-12,14-15H,1-4H3,(H,20,21)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 361.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 40843072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).