3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide

C25H25N3O4S — CID 24981733

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1
InChIInChI=1S/C25H25N3O4S/c1-27(2)25(30)19-12-14-21(15-13-19)26-24(29)20-8-5-10-22(17-20)33(31,32)28-16-6-9-18-7-3-4-11-23(18)28/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3,(H,26,29)
InChIKeyYNXLQRHGFPIHIR-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.78
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide (PubChem CID 24981733) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
PubChem CID24981733
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1
InChIInChI=1S/C25H25N3O4S/c1-27(2)25(30)19-12-14-21(15-13-19)26-24(29)20-8-5-10-22(17-20)33(31,32)28-16-6-9-18-7-3-4-11-23(18)28/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3,(H,26,29)
InChIKeyYNXLQRHGFPIHIR-UHFFFAOYSA-N
XLogP3.78
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide (CID 24981733) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide is CN(C)C(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The InChIKey is YNXLQRHGFPIHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-27(2)25(30)19-12-14-21(15-13-19)26-24(29)20-8-5-10-22(17-20)33(31,32)28-16-6-9-18-7-3-4-11-23(18)28/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3,(H,26,29).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide has a molecular weight of 463.56 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 24981733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).