N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide

C17H26N2O4S — CID 110346040

IUPACN-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCS(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-15-6-8-16(9-7-15)23-14-17(20)18-10-13-24(21,22)19-11-4-2-3-5-12-19/h6-9H,2-5,10-14H2,1H3,(H,18,20)
InChIKeyBKLSJHDLGXISHH-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.70
Rot. Bonds7

About N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide

N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 110346040) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID110346040
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCS(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-15-6-8-16(9-7-15)23-14-17(20)18-10-13-24(21,22)19-11-4-2-3-5-12-19/h6-9H,2-5,10-14H2,1H3,(H,18,20)
InChIKeyBKLSJHDLGXISHH-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 50978956
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-methylphenoxy)acetamide
CID 41349328
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 25285504
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
N-(2-hydroxyethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 3544806
5-(4-methoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306644
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 16826988
phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
CID 110346050
5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306650

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide (CID 110346040) is N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is BKLSJHDLGXISHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-15-6-8-16(9-7-15)23-14-17(20)18-10-13-24(21,22)19-11-4-2-3-5-12-19/h6-9H,2-5,10-14H2,1H3,(H,18,20).
What are the key properties of N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 354.47 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110346040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).