2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

C20H25N3O3S — CID 4110592

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25N3O3S/c1-15-8-9-18(12-19(15)27(25,26)22(2)3)21-20(24)14-23-11-10-16-6-4-5-7-17(16)13-23/h4-9,12H,10-11,13-14H2,1-3H3,(H,21,24)
InChIKeyMJXHSOYDCGEGQO-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.24
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 4110592) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID4110592
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25N3O3S/c1-15-8-9-18(12-19(15)27(25,26)22(2)3)21-20(24)14-23-11-10-16-6-4-5-7-17(16)13-23/h4-9,12H,10-11,13-14H2,1-3H3,(H,21,24)
InChIKeyMJXHSOYDCGEGQO-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide with MolForge

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Related Compounds

N-methyl-N-(2-naphthyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 38890218
TG2-IN-3h
CID 73775533
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 999998
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
4-(4-Tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 991971
N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(4-methylphenyl)methanesulfonamide
CID 1000778
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
N-[4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]acetamide
CID 749170
N-(4-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}phenyl)acetamide
CID 1147635
N-[4-(Diethylamino)phenyl]-2-{4-[4-(propan-2-YL)benzenesulfonyl]piperazin-1-YL}acetamide
CID 16034807
N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3238453

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (CID 4110592) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is MJXHSOYDCGEGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-8-9-18(12-19(15)27(25,26)22(2)3)21-20(24)14-23-11-10-16-6-4-5-7-17(16)13-23/h4-9,12H,10-11,13-14H2,1-3H3,(H,21,24).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 4110592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).