3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide

C25H30N4O5S — CID 26074590

IUPAC3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1OC
InChIInChI=1S/C25H30N4O5S/c1-33-23-9-6-18(16-24(23)34-2)35(31,32)27-13-11-25(30)28-21-7-8-22(29-14-4-3-5-15-29)19-10-12-26-17-20(19)21/h6-10,12,16-17,27H,3-5,11,13-15H2,1-2H3,(H,28,30)
InChIKeyJVBDSCXRTUFYAF-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.55
Rot. Bonds9

About 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide (PubChem CID 26074590) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide
PubChem CID26074590
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1OC
InChIInChI=1S/C25H30N4O5S/c1-33-23-9-6-18(16-24(23)34-2)35(31,32)27-13-11-25(30)28-21-7-8-22(29-14-4-3-5-15-29)19-10-12-26-17-20(19)21/h6-10,12,16-17,27H,3-5,11,13-15H2,1-2H3,(H,28,30)
InChIKeyJVBDSCXRTUFYAF-UHFFFAOYSA-N
XLogP3.55
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 26074503
N-[4-oxo-4-[(5-piperidin-1-ylisoquinolin-8-yl)amino]butyl]benzamide
CID 39235528
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30091951
N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845943
2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55501395
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide
CID 26075000
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253471
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 55362076
N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
CID 56921177
N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845442
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
CID 86884406

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide (CID 26074590) is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide?
The InChIKey is JVBDSCXRTUFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-33-23-9-6-18(16-24(23)34-2)35(31,32)27-13-11-25(30)28-21-7-8-22(29-14-4-3-5-15-29)19-10-12-26-17-20(19)21/h6-10,12,16-17,27H,3-5,11,13-15H2,1-2H3,(H,28,30).
What are the key properties of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide?
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide has a molecular weight of 498.61 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide is sourced from PubChem (CID 26074590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).