N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide

C17H26N2O4S — CID 50978956

IUPACN-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCS(=O)(=O)N2CCCC2)c1C
InChIInChI=1S/C17H26N2O4S/c1-13-6-7-14(2)17(15(13)3)23-12-16(20)18-8-11-24(21,22)19-9-4-5-10-19/h6-7H,4-5,8-12H2,1-3H3,(H,18,20)
InChIKeyLYQUMRNKAVXEKR-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.53
Rot. Bonds7

About N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide

N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 50978956) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID50978956
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCS(=O)(=O)N2CCCC2)c1C
InChIInChI=1S/C17H26N2O4S/c1-13-6-7-14(2)17(15(13)3)23-12-16(20)18-8-11-24(21,22)19-9-4-5-10-19/h6-7H,4-5,8-12H2,1-3H3,(H,18,20)
InChIKeyLYQUMRNKAVXEKR-UHFFFAOYSA-N
XLogP1.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110346040
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538932
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
N-(4-piperidin-1-ylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188926
3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541528
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572762
2-cyano-N-[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]propyl]acetamide
CID 108924299

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide (CID 50978956) is N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)NCCS(=O)(=O)N2CCCC2)c1C.
What is the InChIKey of N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is LYQUMRNKAVXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-6-7-14(2)17(15(13)3)23-12-16(20)18-8-11-24(21,22)19-9-4-5-10-19/h6-7H,4-5,8-12H2,1-3H3,(H,18,20).
What are the key properties of N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide?
N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 354.47 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 50978956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).