(2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide

C19H24N2O4S — CID 30397106

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1C
InChIInChI=1S/C19H24N2O4S/c1-13-8-6-11-18(14(13)2)25-15(3)19(22)20-16-9-7-10-17(12-16)21(4)26(5,23)24/h6-12,15H,1-5H3,(H,20,22)/t15-/m1/s1
InChIKeyYVPYHSIAWXNVIY-OAHLLOKOSA-N
MW376.48 g/mol
LogP3.11
Rot. Bonds6

About (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide

(2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide (PubChem CID 30397106) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
PubChem CID30397106
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1C
InChIInChI=1S/C19H24N2O4S/c1-13-8-6-11-18(14(13)2)25-15(3)19(22)20-16-9-7-10-17(12-16)21(4)26(5,23)24/h6-12,15H,1-5H3,(H,20,22)/t15-/m1/s1
InChIKeyYVPYHSIAWXNVIY-OAHLLOKOSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)propanamide
CID 30384284
N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 16793312
N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535
dimethyl 5-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzene-1,3-dicarboxylate
CID 28982159
2-(2,3-dimethylphenoxy)-N-pyridin-3-ylpropanamide
CID 43875980
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide (CID 30397106) is (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide is Cc1cccc(O[C@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1C.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The InChIKey is YVPYHSIAWXNVIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-8-6-11-18(14(13)2)25-15(3)19(22)20-16-9-7-10-17(12-16)21(4)26(5,23)24/h6-12,15H,1-5H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide is sourced from PubChem (CID 30397106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).