(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C21H28N2O4S — CID 100754867

IUPAC(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-16-9-8-10-17(7-2)20(16)22-21(24)15(3)27-19-13-11-18(12-14-19)23(4)28(5,25)26/h8-15H,6-7H2,1-5H3,(H,22,24)/t15-/m0/s1
InChIKeyCYRQLDATWGYBAH-HNNXBMFYSA-N
MW404.53 g/mol
LogP3.61
Rot. Bonds8

About (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 100754867) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID100754867
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-16-9-8-10-17(7-2)20(16)22-21(24)15(3)27-19-13-11-18(12-14-19)23(4)28(5,25)26/h8-15H,6-7H2,1-5H3,(H,22,24)/t15-/m0/s1
InChIKeyCYRQLDATWGYBAH-HNNXBMFYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535
N-(3-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133228883
(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100562241
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 100627834
(2R)-N-[(2-chlorophenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100656988
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184624
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
dimethyl 5-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanoylamino]benzene-1,3-dicarboxylate
CID 133186767

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 100754867) is (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is CYRQLDATWGYBAH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-6-16-9-8-10-17(7-2)20(16)22-21(24)15(3)27-19-13-11-18(12-14-19)23(4)28(5,25)26/h8-15H,6-7H2,1-5H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 100754867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).