N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide

C19H23NO3S — CID 100757668

IUPACN-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide
SMILESCc1cccc([C@@H](C)CNC(=O)Cc2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C19H23NO3S/c1-14-7-6-9-16(11-14)15(2)13-20-19(21)12-17-8-4-5-10-18(17)24(3,22)23/h4-11,15H,12-13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyNPTYOVHVYDPIJW-HNNXBMFYSA-N
MW345.46 g/mol
LogP2.86
Rot. Bonds6

About N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide

N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide (PubChem CID 100757668) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide
PubChem CID100757668
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide
SMILESCc1cccc([C@@H](C)CNC(=O)Cc2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C19H23NO3S/c1-14-7-6-9-16(11-14)15(2)13-20-19(21)12-17-8-4-5-10-18(17)24(3,22)23/h4-11,15H,12-13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyNPTYOVHVYDPIJW-HNNXBMFYSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide
CID 110438351
N-[2-(3-methylphenyl)propyl]-3-methylsulfonyl-2-nitroaniline
CID 133414133
2-methyl-1-[2-(3-methylphenyl)propyl]-3-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111660001
N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide
CID 124689334
1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea
CID 111459209
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439306
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
2-methyl-1-[2-(3-methylphenyl)propyl]-3-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111659239
2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-phenylacetamide
CID 111659735

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide (CID 100757668) is N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide is Cc1cccc([C@@H](C)CNC(=O)Cc2ccccc2S(C)(=O)=O)c1.
What is the InChIKey of N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide?
The InChIKey is NPTYOVHVYDPIJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-7-6-9-16(11-14)15(2)13-20-19(21)12-17-8-4-5-10-18(17)24(3,22)23/h4-11,15H,12-13H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide?
N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide has a molecular weight of 345.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 100757668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).