2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride

C17H28ClN3O5S — CID 119424877

IUPAC2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)NC2CCCNC2)cc1OCC.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-3-24-15-8-7-14(10-16(15)25-4-2)26(22,23)19-12-17(21)20-13-6-5-9-18-11-13;/h7-8,10,13,18-19H,3-6,9,11-12H2,1-2H3,(H,20,21);1H
InChIKeyUEADDFHEPSOLGC-UHFFFAOYSA-N
MW421.95 g/mol
LogP1.05
Rot. Bonds9

About 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride

2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride (PubChem CID 119424877) has the molecular formula C17H28ClN3O5S and a molecular weight of 421.95 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride
PubChem CID119424877
Molecular FormulaC17H28ClN3O5S
Molecular Weight421.95 g/mol
Exact Mass421.14
IUPAC Name2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)NC2CCCNC2)cc1OCC.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-3-24-15-8-7-14(10-16(15)25-4-2)26(22,23)19-12-17(21)20-13-6-5-9-18-11-13;/h7-8,10,13,18-19H,3-6,9,11-12H2,1-2H3,(H,20,21);1H
InChIKeyUEADDFHEPSOLGC-UHFFFAOYSA-N
XLogP1.05
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119428153
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
CID 55913304
3-bromo-4-ethoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964398
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 120658682
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119631400
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119409785
3-bromo-4-ethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967107
N-(2-amino-2-methylpropyl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide
CID 119626393
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 119466628
N-(1-amino-2-methylpropan-2-yl)-2-[(3,4-diethoxyphenyl)sulfonylamino]acetamide
CID 119521854

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride (CID 119424877) is 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride is CCOc1ccc(S(=O)(=O)NCC(=O)NC2CCCNC2)cc1OCC.Cl.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride?
The InChIKey is UEADDFHEPSOLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S.ClH/c1-3-24-15-8-7-14(10-16(15)25-4-2)26(22,23)19-12-17(21)20-13-6-5-9-18-11-13;/h7-8,10,13,18-19H,3-6,9,11-12H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride?
2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 1.05, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119424877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).