2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

C14H20N2O3S — CID 110345334

IUPAC2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESCc1ccccc1C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C14H20N2O3S/c1-12-6-2-3-7-13(12)14(17)15-8-11-20(18,19)16-9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17)
InChIKeyMEUIXVWIABQBRX-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.15
Rot. Bonds5

About 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (PubChem CID 110345334) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
PubChem CID110345334
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESCc1ccccc1C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C14H20N2O3S/c1-12-6-2-3-7-13(12)14(17)15-8-11-20(18,19)16-9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17)
InChIKeyMEUIXVWIABQBRX-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004
2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349575
2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 46994853
2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 55692362
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782902
phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
CID 110346050
3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358
N-[3-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]-2-methylbenzamide
CID 46616261

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The IUPAC name of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (CID 110345334) is 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is Cc1ccccc1C(=O)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The InChIKey is MEUIXVWIABQBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12-6-2-3-7-13(12)14(17)15-8-11-20(18,19)16-9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide has a molecular weight of 296.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 110345334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).