5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide

C23H28N4O4S — CID 148618893

IUPAC5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide
SMILESCN1Cc2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)ccc2CC1=O
InChIInChI=1S/C23H28N4O4S/c1-25(2)32(30,31)19-8-9-21(27-10-4-5-11-27)20(14-19)23(29)24-18-7-6-16-13-22(28)26(3)15-17(16)12-18/h6-9,12,14H,4-5,10-11,13,15H2,1-3H3,(H,24,29)
InChIKeyNFWCWQHYQZUFPQ-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.30
Rot. Bonds5

About 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 148618893) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide
PubChem CID148618893
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide
SMILESCN1Cc2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)ccc2CC1=O
InChIInChI=1S/C23H28N4O4S/c1-25(2)32(30,31)19-8-9-21(27-10-4-5-11-27)20(14-19)23(29)24-18-7-6-16-13-22(28)26(3)15-17(16)12-18/h6-9,12,14H,4-5,10-11,13,15H2,1-3H3,(H,24,29)
InChIKeyNFWCWQHYQZUFPQ-UHFFFAOYSA-N
XLogP2.30
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55962545
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-1-ylbenzamide
CID 55812100
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 55673941
N-[4-[benzyl(methyl)amino]phenyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 60536402
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide
CID 22108957
5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide
CID 55857004

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide (CID 148618893) is 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide is CN1Cc2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)ccc2CC1=O.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is NFWCWQHYQZUFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-25(2)32(30,31)19-8-9-21(27-10-4-5-11-27)20(14-19)23(29)24-18-7-6-16-13-22(28)26(3)15-17(16)12-18/h6-9,12,14H,4-5,10-11,13,15H2,1-3H3,(H,24,29).
What are the key properties of 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 456.57 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 148618893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).