ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate

C19H22N2O5S2 — CID 30679153

IUPACethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C19H22N2O5S2/c1-2-26-18(23)10-9-17(22)20-15-7-8-16-14(13-15)5-3-11-21(16)28(24,25)19-6-4-12-27-19/h4,6-8,12-13H,2-3,5,9-11H2,1H3,(H,20,22)
InChIKeySKQOPEAHMAEWHO-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.17
Rot. Bonds7

About ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate

ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate (PubChem CID 30679153) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate
PubChem CID30679153
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Nameethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C19H22N2O5S2/c1-2-26-18(23)10-9-17(22)20-15-7-8-16-14(13-15)5-3-11-21(16)28(24,25)19-6-4-12-27-19/h4,6-8,12-13H,2-3,5,9-11H2,1H3,(H,20,22)
InChIKeySKQOPEAHMAEWHO-UHFFFAOYSA-N
XLogP3.17
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate with MolForge

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Related Compounds

3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 7657771
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
3,5-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831226
3,4-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831231
2-(4-ethoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 20962946
3-bromo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27545934
3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 18578077
4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27532573
4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834893
2,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955914
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate (CID 30679153) is ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate is CCOC(=O)CCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate?
The InChIKey is SKQOPEAHMAEWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-2-26-18(23)10-9-17(22)20-15-7-8-16-14(13-15)5-3-11-21(16)28(24,25)19-6-4-12-27-19/h4,6-8,12-13H,2-3,5,9-11H2,1H3,(H,20,22).
What are the key properties of ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate?
ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate has a molecular weight of 422.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate is sourced from PubChem (CID 30679153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).