N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide

C15H23NO3S — CID 94002660

IUPACN-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
SMILESCc1ccccc1CS(=O)(=O)CC(=O)N[C@H](C)C(C)C
InChIInChI=1S/C15H23NO3S/c1-11(2)13(4)16-15(17)10-20(18,19)9-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyKJSZLCXRFNHELQ-CYBMUJFWSA-N
MW297.42 g/mol
LogP2.07
Rot. Bonds6

About N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide

N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide (PubChem CID 94002660) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
PubChem CID94002660
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
SMILESCc1ccccc1CS(=O)(=O)CC(=O)N[C@H](C)C(C)C
InChIInChI=1S/C15H23NO3S/c1-11(2)13(4)16-15(17)10-20(18,19)9-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyKJSZLCXRFNHELQ-CYBMUJFWSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 86923007
N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 7731124
2-methyl-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 113415884
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476752
1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
CID 47559298
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]butan-2-amine
CID 64676244
2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81174763
2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81187001
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60683498

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide (CID 94002660) is N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide is Cc1ccccc1CS(=O)(=O)CC(=O)N[C@H](C)C(C)C.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide?
The InChIKey is KJSZLCXRFNHELQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(2)13(4)16-15(17)10-20(18,19)9-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide?
N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 94002660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).