2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide

C23H24N2O4S2 — CID 20962946

IUPAC2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1
InChIInChI=1S/C23H24N2O4S2/c1-2-29-20-11-7-17(8-12-20)15-22(26)24-19-10-9-18-5-3-13-25(21(18)16-19)31(27,28)23-6-4-14-30-23/h4,6-12,14,16H,2-3,5,13,15H2,1H3,(H,24,26)
InChIKeyYTFXIESEECCFHY-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.47
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide

2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide (PubChem CID 20962946) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
PubChem CID20962946
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1
InChIInChI=1S/C23H24N2O4S2/c1-2-29-20-11-7-17(8-12-20)15-22(26)24-19-10-9-18-5-3-13-25(21(18)16-19)31(27,28)23-6-4-14-30-23/h4,6-12,14,16H,2-3,5,13,15H2,1H3,(H,24,26)
InChIKeyYTFXIESEECCFHY-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 27443267
2-ethoxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 7586784
3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 18578077
ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate
CID 30679153
3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 7657771
N'-(2-methylphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 16823353
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 94221452
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098
4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27532573
2-methyl-3-nitro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 16835304
2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
CID 20962974

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide (CID 20962946) is 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide is CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
The InChIKey is YTFXIESEECCFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-2-29-20-11-7-17(8-12-20)15-22(26)24-19-10-9-18-5-3-13-25(21(18)16-19)31(27,28)23-6-4-14-30-23/h4,6-12,14,16H,2-3,5,13,15H2,1H3,(H,24,26).
What are the key properties of 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide?
2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide is sourced from PubChem (CID 20962946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).