N-[2-(2-methylsulfonylphenyl)ethyl]propanamide

C12H17NO3S — CID 110477488

IUPACN-[2-(2-methylsulfonylphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H17NO3S/c1-3-12(14)13-9-8-10-6-4-5-7-11(10)17(2,15)16/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyXDFJYJUTRUJLDH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(2-methylsulfonylphenyl)ethyl]propanamide

N-[2-(2-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 110477488) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[2-(2-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methylsulfonylphenyl)ethyl]propanamide
PubChem CID110477488
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[2-(2-methylsulfonylphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H17NO3S/c1-3-12(14)13-9-8-10-6-4-5-7-11(10)17(2,15)16/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyXDFJYJUTRUJLDH-UHFFFAOYSA-N
XLogP1.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479196
2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479076
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470575
5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 167799120
2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide
CID 166408958
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
1,1-dimethyl-3-[(2-methylsulfonylphenyl)methyl]urea
CID 110470450
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of N-[2-(2-methylsulfonylphenyl)ethyl]propanamide (CID 110477488) is N-[2-(2-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methylsulfonylphenyl)ethyl]propanamide is CCC(=O)NCCc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is XDFJYJUTRUJLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-12(14)13-9-8-10-6-4-5-7-11(10)17(2,15)16/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(2-methylsulfonylphenyl)ethyl]propanamide?
N-[2-(2-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 255.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 110477488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).