3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

C18H30ClN3O5S — CID 119558527

IUPAC3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C18H29N3O5S.ClH/c1-25-16-6-5-15(12-17(16)26-2)27(23,24)21-11-8-18(22)20-10-7-14-4-3-9-19-13-14;/h5-6,12,14,19,21H,3-4,7-11,13H2,1-2H3,(H,20,22);1H
InChIKeyDOBBMJBEMIPGPM-UHFFFAOYSA-N
MW435.97 g/mol
LogP1.30
Rot. Bonds10

About 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119558527) has the molecular formula C18H30ClN3O5S and a molecular weight of 435.97 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119558527
Molecular FormulaC18H30ClN3O5S
Molecular Weight435.97 g/mol
Exact Mass435.16
IUPAC Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C18H29N3O5S.ClH/c1-25-16-6-5-15(12-17(16)26-2)27(23,24)21-11-8-18(22)20-10-7-14-4-3-9-19-13-14;/h5-6,12,14,19,21H,3-4,7-11,13H2,1-2H3,(H,20,22);1H
InChIKeyDOBBMJBEMIPGPM-UHFFFAOYSA-N
XLogP1.30
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.97
LogP ≤ 51.30
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-(2-piperidin-3-ylethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119558546
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462202
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534719
4-bromo-3-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977366
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558807
N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119558452
3-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555554

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (CID 119558527) is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is COc1ccc(S(=O)(=O)NCCC(=O)NCCC2CCCNC2)cc1OC.Cl.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is DOBBMJBEMIPGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S.ClH/c1-25-16-6-5-15(12-17(16)26-2)27(23,24)21-11-8-18(22)20-10-7-14-4-3-9-19-13-14;/h5-6,12,14,19,21H,3-4,7-11,13H2,1-2H3,(H,20,22);1H.
What are the key properties of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 435.97 g/mol, XLogP of 1.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119558527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).