N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide

C22H34N4O5S — CID 55565587

IUPACN-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)c1
InChIInChI=1S/C22H34N4O5S/c1-18-6-3-4-10-26(18)21(27)17-24-11-13-25(14-12-24)22(28)19-7-5-8-20(16-19)32(29,30)23-9-15-31-2/h5,7-8,16,18,23H,3-4,6,9-15,17H2,1-2H3
InChIKeyDFIDEWOGGVQYMI-UHFFFAOYSA-N
MW466.60 g/mol
LogP0.77
Rot. Bonds8

About N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide

N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 55565587) has the molecular formula C22H34N4O5S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID55565587
Molecular FormulaC22H34N4O5S
Molecular Weight466.60 g/mol
Exact Mass466.22
IUPAC NameN-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)c1
InChIInChI=1S/C22H34N4O5S/c1-18-6-3-4-10-26(18)21(27)17-24-11-13-25(14-12-24)22(28)19-7-5-8-20(16-19)32(29,30)23-9-15-31-2/h5,7-8,16,18,23H,3-4,6,9-15,17H2,1-2H3
InChIKeyDFIDEWOGGVQYMI-UHFFFAOYSA-N
XLogP0.77
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56511421
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119377248
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119409333
N-(2-methoxyethyl)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55566298
2-(2-methoxyethylamino)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119851436
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55376240
(2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 36550487
(2R)-N-[3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 36550493
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide (CID 55565587) is N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide is COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is DFIDEWOGGVQYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5S/c1-18-6-3-4-10-26(18)21(27)17-24-11-13-25(14-12-24)22(28)19-7-5-8-20(16-19)32(29,30)23-9-15-31-2/h5,7-8,16,18,23H,3-4,6,9-15,17H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide?
N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 466.60 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55565587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).