N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide

C18H28N2O4S — CID 154757584

IUPACN-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CC(=O)N2CCCCCC2CCO)cc1
InChIInChI=1S/C18H28N2O4S/c1-2-19-25(23,24)17-9-7-15(8-10-17)14-18(22)20-12-5-3-4-6-16(20)11-13-21/h7-10,16,19,21H,2-6,11-14H2,1H3
InChIKeyICAFDQYAAHLXPW-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.68
Rot. Bonds7

About N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide

N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 154757584) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID154757584
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CC(=O)N2CCCCCC2CCO)cc1
InChIInChI=1S/C18H28N2O4S/c1-2-19-25(23,24)17-9-7-15(8-10-17)14-18(22)20-12-5-3-4-6-16(20)11-13-21/h7-10,16,19,21H,2-6,11-14H2,1H3
InChIKeyICAFDQYAAHLXPW-UHFFFAOYSA-N
XLogP1.68
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60742792
1-(2-propylpiperidin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107033944
4-[3-[2-[(dimethylamino)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-N-ethylbenzenesulfonamide
CID 72687173
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995607
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 112995571
N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide
CID 86791122
2-(4-bromophenyl)-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63249383
N-ethyl-4-[2-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63253614
N-ethyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methylbenzenesulfonamide
CID 34286430
[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea
CID 95298468
(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide (CID 154757584) is N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(CC(=O)N2CCCCCC2CCO)cc1.
What is the InChIKey of N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is ICAFDQYAAHLXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-2-19-25(23,24)17-9-7-15(8-10-17)14-18(22)20-12-5-3-4-6-16(20)11-13-21/h7-10,16,19,21H,2-6,11-14H2,1H3.
What are the key properties of N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide?
N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 154757584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).