2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide

C13H17NO3S — CID 146154687

IUPAC2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(C2CC2C(=O)NS(C)(=O)=O)cc1C
InChIInChI=1S/C13H17NO3S/c1-8-4-5-10(6-9(8)2)11-7-12(11)13(15)14-18(3,16)17/h4-6,11-12H,7H2,1-3H3,(H,14,15)
InChIKeyFRHQRZBDJBKPSG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.48
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide

2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide (PubChem CID 146154687) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide
PubChem CID146154687
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(C2CC2C(=O)NS(C)(=O)=O)cc1C
InChIInChI=1S/C13H17NO3S/c1-8-4-5-10(6-9(8)2)11-7-12(11)13(15)14-18(3,16)17/h4-6,11-12H,7H2,1-3H3,(H,14,15)
InChIKeyFRHQRZBDJBKPSG-UHFFFAOYSA-N
XLogP1.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 100843088
trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 97211308
cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 95589019
4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
CID 95588541
1-[4-[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 95588206
trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124623703
cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40555202
ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate
CID 164906873
1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
CID 63645174
1-[2-(3-bromo-4-methylphenyl)cyclopropyl]ethanone
CID 105407809
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96523459

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide (CID 146154687) is 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide is Cc1ccc(C2CC2C(=O)NS(C)(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide?
The InChIKey is FRHQRZBDJBKPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8-4-5-10(6-9(8)2)11-7-12(11)13(15)14-18(3,16)17/h4-6,11-12H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide?
2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 146154687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).