N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide

C19H22N2O4S — CID 7517554

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-25-17-8-10-18(11-9-17)26(23,24)20-16-7-6-15-5-4-12-21(14(2)22)19(15)13-16/h6-11,13,20H,3-5,12H2,1-2H3
InChIKeyPOQPQGYLGPUBLH-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.19
Rot. Bonds5

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide (PubChem CID 7517554) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide
PubChem CID7517554
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-25-17-8-10-18(11-9-17)26(23,24)20-16-7-6-15-5-4-12-21(14(2)22)19(15)13-16/h6-11,13,20H,3-5,12H2,1-2H3
InChIKeyPOQPQGYLGPUBLH-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide
CID 7586249
2-(2-(4-ethoxy-N-(4-methoxyphenyl)phenylsulfonamido)acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 10208363
2-(2-(2-(4-ethoxy-N-p-tolylphenylsulfonamido)acetyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetamide
CID 11519251
1-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16031528
4-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-sulfonamide
CID 71271805
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-N-cyclobutyl-4-methoxybenzenesulfonamide
CID 89659420
N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121414113
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119
4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzenesulfonamide
CID 1092897
2-[4-(4-morpholinylsulfonyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1253234
N-(2,5-dimethylphenyl)-4-[2-(4-morpholinyl)-2-oxoethoxy]benzenesulfonamide
CID 1261140

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide (CID 7517554) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is POQPQGYLGPUBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-25-17-8-10-18(11-9-17)26(23,24)20-16-7-6-15-5-4-12-21(14(2)22)19(15)13-16/h6-11,13,20H,3-5,12H2,1-2H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 7517554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).