(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C21H28N2O4S — CID 100726668

IUPAC(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C21H28N2O4S/c1-14-7-8-15(2)20(13-14)16(3)22-21(24)17(4)27-19-11-9-18(10-12-19)23(5)28(6,25)26/h7-13,16-17H,1-6H3,(H,22,24)/t16-,17-/m1/s1
InChIKeyMMQDURZULUKXPQ-IAGOWNOFSA-N
MW404.53 g/mol
LogP3.34
Rot. Bonds7

About (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 100726668) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID100726668
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C21H28N2O4S/c1-14-7-8-15(2)20(13-14)16(3)22-21(24)17(4)27-19-11-9-18(10-12-19)23(5)28(6,25)26/h7-13,16-17H,1-6H3,(H,22,24)/t16-,17-/m1/s1
InChIKeyMMQDURZULUKXPQ-IAGOWNOFSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125052862
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133162812
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 93487500
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94018683
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 125063649
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 125059427

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 100726668) is (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1.
What is the InChIKey of (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is MMQDURZULUKXPQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14-7-8-15(2)20(13-14)16(3)22-21(24)17(4)27-19-11-9-18(10-12-19)23(5)28(6,25)26/h7-13,16-17H,1-6H3,(H,22,24)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 100726668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).