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

C13H17NO3S — CID 110478158

IUPACN-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1ccccc1CCNC(=O)C1CC1
InChIInChI=1S/C13H17NO3S/c1-18(16,17)12-5-3-2-4-10(12)8-9-14-13(15)11-6-7-11/h2-5,11H,6-9H2,1H3,(H,14,15)
InChIKeyWYENQXYRQZIGQK-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.16
Rot. Bonds5

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

N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide (PubChem CID 110478158) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
PubChem CID110478158
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1ccccc1CCNC(=O)C1CC1
InChIInChI=1S/C13H17NO3S/c1-18(16,17)12-5-3-2-4-10(12)8-9-14-13(15)11-6-7-11/h2-5,11H,6-9H2,1H3,(H,14,15)
InChIKeyWYENQXYRQZIGQK-UHFFFAOYSA-N
XLogP1.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488
N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 136565833
2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479196
4-hydroxy-N-[2-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529250
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149058
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 47113517
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide (CID 110478158) is N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide is CS(=O)(=O)c1ccccc1CCNC(=O)C1CC1.
What is the InChIKey of N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is WYENQXYRQZIGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-18(16,17)12-5-3-2-4-10(12)8-9-14-13(15)11-6-7-11/h2-5,11H,6-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 267.35 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]cyclopropanecarboxamide is sourced from PubChem (CID 110478158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).