N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide

C21H26N2O4S — CID 154934520

IUPACN-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cc21
InChIInChI=1S/C21H26N2O4S/c1-4-21(24)23-13-5-6-16-7-8-17(14-20(16)23)22-28(25,26)19-11-9-18(10-12-19)27-15(2)3/h7-12,14-15,22H,4-6,13H2,1-3H3
InChIKeyPKPYGRZCUWLZQF-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.96
Rot. Bonds6

About N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide

N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 154934520) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID154934520
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cc21
InChIInChI=1S/C21H26N2O4S/c1-4-21(24)23-13-5-6-16-7-8-17(14-20(16)23)22-28(25,26)19-11-9-18(10-12-19)27-15(2)3/h7-12,14-15,22H,4-6,13H2,1-3H3
InChIKeyPKPYGRZCUWLZQF-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990274
2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448556
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 154934365
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 154934397
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide
CID 154934391
N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 16834785
3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27604546
N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 27605044
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide
CID 43955801
4-fluoro-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604913

Frequently Asked Questions

What is the IUPAC name of N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide (CID 154934520) is N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide is CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cc21.
What is the InChIKey of N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is PKPYGRZCUWLZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-21(24)23-13-5-6-16-7-8-17(14-20(16)23)22-28(25,26)19-11-9-18(10-12-19)27-15(2)3/h7-12,14-15,22H,4-6,13H2,1-3H3.
What are the key properties of N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide?
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 154934520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).