N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide

C13H17NO3S — CID 110790600

IUPACN-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1ccc(CCNC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO3S/c1-18(16,17)12-6-2-10(3-7-12)8-9-14-13(15)11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyRHUGJRKHYRBGSI-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide

N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide (PubChem CID 110790600) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
PubChem CID110790600
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1ccc(CCNC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO3S/c1-18(16,17)12-6-2-10(3-7-12)8-9-14-13(15)11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyRHUGJRKHYRBGSI-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

4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 100642135
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
2-chloro-2,2-difluoro-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 91661460
N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
CID 110790666
1-[2-(4-methylsulfonylphenyl)ethyl]-3-prop-2-ynylurea
CID 71994484
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide (CID 110790600) is N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide is CS(=O)(=O)c1ccc(CCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is RHUGJRKHYRBGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-18(16,17)12-6-2-10(3-7-12)8-9-14-13(15)11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
N-[2-(4-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-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110790600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).