N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide

C12H17NO3S — CID 70828816

IUPACN-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H17NO3S/c1-9-8-12(13-10(2)14)5-4-11(9)6-7-17(3,15)16/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyBOAQMKHWQRLFPH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.54
Rot. Bonds4

About N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide

N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide (PubChem CID 70828816) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide
PubChem CID70828816
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H17NO3S/c1-9-8-12(13-10(2)14)5-4-11(9)6-7-17(3,15)16/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyBOAQMKHWQRLFPH-UHFFFAOYSA-N
XLogP1.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66818189
(3-methyl-4-tridecylphenyl)urea
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CID 43109034
N-(4-ethyl-3-sulfanylphenyl)acetamide
CID 130011196
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
CID 47028344
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
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[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl methanesulfonate
CID 87119211

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide (CID 70828816) is N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide is CC(=O)Nc1ccc(CCS(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide?
The InChIKey is BOAQMKHWQRLFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-8-12(13-10(2)14)5-4-11(9)6-7-17(3,15)16/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide?
N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide has a molecular weight of 255.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide is sourced from PubChem (CID 70828816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).