N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C24H25N3O5S — CID 3562966

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1
InChIInChI=1S/C24H25N3O5S/c1-16-10-11-19(33(30,31)26(2)3)14-20(16)25-23(28)21-13-17-7-4-5-8-18(17)15-27(21)24(29)22-9-6-12-32-22/h4-12,14,21H,13,15H2,1-3H3,(H,25,28)
InChIKeyPXBMEWDFHYLBMC-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.04
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 3562966) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID3562966
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1
InChIInChI=1S/C24H25N3O5S/c1-16-10-11-19(33(30,31)26(2)3)14-20(16)25-23(28)21-13-17-7-4-5-8-18(17)15-27(21)24(29)22-9-6-12-32-22/h4-12,14,21H,13,15H2,1-3H3,(H,25,28)
InChIKeyPXBMEWDFHYLBMC-UHFFFAOYSA-N
XLogP3.04
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 3562966) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is PXBMEWDFHYLBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-16-10-11-19(33(30,31)26(2)3)14-20(16)25-23(28)21-13-17-7-4-5-8-18(17)15-27(21)24(29)22-9-6-12-32-22/h4-12,14,21H,13,15H2,1-3H3,(H,25,28).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 3562966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).