2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide

C18H21NO3S — CID 100716550

IUPAC2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide
SMILESCc1cccc(Oc2ccccc2C(=O)N[C@H](C)C[S@](C)=O)c1
InChIInChI=1S/C18H21NO3S/c1-13-7-6-8-15(11-13)22-17-10-5-4-9-16(17)18(20)19-14(2)12-23(3)21/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-,23+/m1/s1
InChIKeyKWZXTJOVTBAYLU-FATZIPQQSA-N
MW331.44 g/mol
LogP3.28
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide

2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide (PubChem CID 100716550) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide
PubChem CID100716550
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide
SMILESCc1cccc(Oc2ccccc2C(=O)N[C@H](C)C[S@](C)=O)c1
InChIInChI=1S/C18H21NO3S/c1-13-7-6-8-15(11-13)22-17-10-5-4-9-16(17)18(20)19-14(2)12-23(3)21/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-,23+/m1/s1
InChIKeyKWZXTJOVTBAYLU-FATZIPQQSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)benzamide
CID 70968841
N-[(2R)-1-methoxypropan-2-yl]-2-phenoxybenzamide
CID 884755
N-octan-2-yl-2-phenoxybenzamide
CID 4673195
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 26074772
(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
N-pentan-3-yl-2-phenoxybenzamide
CID 884731
N-benzhydryl-2-phenoxybenzamide
CID 3401619
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-phenoxybenzamide
CID 60571640
2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide
CID 119266448
2-(3-methylphenoxy)phenol
CID 22051950

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide (CID 100716550) is 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide is Cc1cccc(Oc2ccccc2C(=O)N[C@H](C)C[S@](C)=O)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide?
The InChIKey is KWZXTJOVTBAYLU-FATZIPQQSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-7-6-8-15(11-13)22-17-10-5-4-9-16(17)18(20)19-14(2)12-23(3)21/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-,23+/m1/s1.
What are the key properties of 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide?
2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide has a molecular weight of 331.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]benzamide is sourced from PubChem (CID 100716550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).