3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide

C16H25N3O5S — CID 119428153

IUPAC3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCNC2)cc1OC
InChIInChI=1S/C16H25N3O5S/c1-23-14-6-5-13(10-15(14)24-2)25(21,22)18-9-7-16(20)19-12-4-3-8-17-11-12/h5-6,10,12,17-18H,3-4,7-9,11H2,1-2H3,(H,19,20)
InChIKeyYEHIEMZBTCQEGB-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.24
Rot. Bonds8

About 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide (PubChem CID 119428153) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
PubChem CID119428153
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCNC2)cc1OC
InChIInChI=1S/C16H25N3O5S/c1-23-14-6-5-13(10-15(14)24-2)25(21,22)18-9-7-16(20)19-12-4-3-8-17-11-12/h5-6,10,12,17-18H,3-4,7-9,11H2,1-2H3,(H,19,20)
InChIKeyYEHIEMZBTCQEGB-UHFFFAOYSA-N
XLogP0.24
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558527
2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride
CID 119424877
3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119425175
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]propanamide
CID 56569415
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
CID 55913304
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide
CID 9165497
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450802
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
CID 119449677
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide (CID 119428153) is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide is COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCNC2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide?
The InChIKey is YEHIEMZBTCQEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-23-14-6-5-13(10-15(14)24-2)25(21,22)18-9-7-16(20)19-12-4-3-8-17-11-12/h5-6,10,12,17-18H,3-4,7-9,11H2,1-2H3,(H,19,20).
What are the key properties of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide?
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide has a molecular weight of 371.46 g/mol, XLogP of 0.24, 8 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-piperidin-3-ylpropanamide is sourced from PubChem (CID 119428153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).