1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide

C20H20N2O3S — CID 75493749

IUPAC1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)C1CCc2ccccc2N1S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C20H20N2O3S/c21-20(23)19-12-10-15-6-3-4-8-18(15)22(19)26(24,25)17-11-9-14-5-1-2-7-16(14)13-17/h1-8,13,19H,9-12H2,(H2,21,23)
InChIKeyBEFKABALHGKCGN-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.61
Rot. Bonds3

About 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide

1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 75493749) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID75493749
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)C1CCc2ccccc2N1S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C20H20N2O3S/c21-20(23)19-12-10-15-6-3-4-8-18(15)22(19)26(24,25)17-11-9-14-5-1-2-7-16(14)13-17/h1-8,13,19H,9-12H2,(H2,21,23)
InChIKeyBEFKABALHGKCGN-UHFFFAOYSA-N
XLogP2.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide (CID 75493749) is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide is NC(=O)C1CCc2ccccc2N1S(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is BEFKABALHGKCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c21-20(23)19-12-10-15-6-3-4-8-18(15)22(19)26(24,25)17-11-9-14-5-1-2-7-16(14)13-17/h1-8,13,19H,9-12H2,(H2,21,23).
What are the key properties of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 75493749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).