N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide

C20H24N2O3S — CID 110342828

IUPACN-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O3S/c1-21(16-17-8-3-2-4-9-17)20(23)13-15-26(24,25)22-14-7-11-18-10-5-6-12-19(18)22/h2-6,8-10,12H,7,11,13-16H2,1H3
InChIKeyRLENSBBHJGJGPP-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.82
Rot. Bonds6

About N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide

N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide (PubChem CID 110342828) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide
PubChem CID110342828
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O3S/c1-21(16-17-8-3-2-4-9-17)20(23)13-15-26(24,25)22-14-7-11-18-10-5-6-12-19(18)22/h2-6,8-10,12H,7,11,13-16H2,1H3
InChIKeyRLENSBBHJGJGPP-UHFFFAOYSA-N
XLogP2.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide (CID 110342828) is N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCS(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide?
The InChIKey is RLENSBBHJGJGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-21(16-17-8-3-2-4-9-17)20(23)13-15-26(24,25)22-14-7-11-18-10-5-6-12-19(18)22/h2-6,8-10,12H,7,11,13-16H2,1H3.
What are the key properties of N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide?
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide has a molecular weight of 372.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide is sourced from PubChem (CID 110342828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).