4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C20H21N3O4S — CID 110324404

IUPAC4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1cccc2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)[nH]c12
InChIInChI=1S/C20H21N3O4S/c1-13-5-4-6-15-11-16(20(25)22-18(13)15)12-21-19(24)14-7-9-17(10-8-14)28(26,27)23(2)3/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLCQISLLXCJBZCX-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.02
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 110324404) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID110324404
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1cccc2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)[nH]c12
InChIInChI=1S/C20H21N3O4S/c1-13-5-4-6-15-11-16(20(25)22-18(13)15)12-21-19(24)14-7-9-17(10-8-14)28(26,27)23(2)3/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLCQISLLXCJBZCX-UHFFFAOYSA-N
XLogP2.02
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324417
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 110324370
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324407
N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
CID 68901888
4-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
CID 1401134
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 110325266

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 110324404) is 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1cccc2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)[nH]c12.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is LCQISLLXCJBZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-5-4-6-15-11-16(20(25)22-18(13)15)12-21-19(24)14-7-9-17(10-8-14)28(26,27)23(2)3/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 110324404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).