N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide

C17H20N2O3S2 — CID 138673339

IUPACN-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide
SMILESCCCN1C(=O)CCc2cc(CNS(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C17H20N2O3S2/c1-2-9-19-15-7-5-13(11-14(15)6-8-16(19)20)12-18-24(21,22)17-4-3-10-23-17/h3-5,7,10-11,18H,2,6,8-9,12H2,1H3
InChIKeyYWZWZIIDSVSJDE-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.92
Rot. Bonds6

About N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide

N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide (PubChem CID 138673339) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide
PubChem CID138673339
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide
SMILESCCCN1C(=O)CCc2cc(CNS(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C17H20N2O3S2/c1-2-9-19-15-7-5-13(11-14(15)6-8-16(19)20)12-18-24(21,22)17-4-3-10-23-17/h3-5,7,10-11,18H,2,6,8-9,12H2,1H3
InChIKeyYWZWZIIDSVSJDE-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide (CID 138673339) is N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide is CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3cccs3)ccc21.
What is the InChIKey of N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is YWZWZIIDSVSJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-2-9-19-15-7-5-13(11-14(15)6-8-16(19)20)12-18-24(21,22)17-4-3-10-23-17/h3-5,7,10-11,18H,2,6,8-9,12H2,1H3.
What are the key properties of N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide?
N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 138673339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).