4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide

C21H26N2O4S — CID 42448407

IUPAC4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc1C
InChIInChI=1S/C21H26N2O4S/c1-4-21(24)23-12-6-7-16-14-17(8-10-19(16)23)22-28(25,26)18-9-11-20(27-5-2)15(3)13-18/h8-11,13-14,22H,4-7,12H2,1-3H3
InChIKeyIGRZGDVJLUPFAW-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.88
Rot. Bonds6

About 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide

4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide (PubChem CID 42448407) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
PubChem CID42448407
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc1C
InChIInChI=1S/C21H26N2O4S/c1-4-21(24)23-12-6-7-16-14-17(8-10-19(16)23)22-28(25,26)18-9-11-20(27-5-2)15(3)13-18/h8-11,13-14,22H,4-7,12H2,1-3H3
InChIKeyIGRZGDVJLUPFAW-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
4-fluoro-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604913
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 7498773
4-ethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methylbenzenesulfonamide
CID 16926583
N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 16834785
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955721
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955729
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955739
N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100542888
N-[(2-ethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100505396

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide (CID 42448407) is 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The InChIKey is IGRZGDVJLUPFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-21(24)23-12-6-7-16-14-17(8-10-19(16)23)22-28(25,26)18-9-11-20(27-5-2)15(3)13-18/h8-11,13-14,22H,4-7,12H2,1-3H3.
What are the key properties of 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 42448407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).