4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide

C18H28N2O5S — CID 108566980

IUPAC4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)COCCOC)CC2)cc1
InChIInChI=1S/C18H28N2O5S/c1-3-15-4-6-17(7-5-15)26(22,23)19-16-8-10-20(11-9-16)18(21)14-25-13-12-24-2/h4-7,16,19H,3,8-14H2,1-2H3
InChIKeyNVOZEBKOIHUWQZ-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.18
Rot. Bonds9

About 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide

4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 108566980) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide
PubChem CID108566980
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)COCCOC)CC2)cc1
InChIInChI=1S/C18H28N2O5S/c1-3-15-4-6-17(7-5-15)26(22,23)19-16-8-10-20(11-9-16)18(21)14-25-13-12-24-2/h4-7,16,19H,3,8-14H2,1-2H3
InChIKeyNVOZEBKOIHUWQZ-UHFFFAOYSA-N
XLogP1.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565892
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566010
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide (CID 108566980) is 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCN(C(=O)COCCOC)CC2)cc1.
What is the InChIKey of 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is NVOZEBKOIHUWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-3-15-4-6-17(7-5-15)26(22,23)19-16-8-10-20(11-9-16)18(21)14-25-13-12-24-2/h4-7,16,19H,3,8-14H2,1-2H3.
What are the key properties of 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide?
4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108566980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).