N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide

C23H24N4O4S2 — CID 55333768

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2c1
InChIInChI=1S/C23H24N4O4S2/c1-3-27(4-2)33(30,31)14-9-10-19-16(11-14)17(12-21(28)25-19)22(29)26-23-18(13-24)15-7-5-6-8-20(15)32-23/h9-12H,3-8H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDYGLCHWNSYENNU-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.62
Rot. Bonds6

About N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55333768) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID55333768
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2c1
InChIInChI=1S/C23H24N4O4S2/c1-3-27(4-2)33(30,31)14-9-10-19-16(11-14)17(12-21(28)25-19)22(29)26-23-18(13-24)15-7-5-6-8-20(15)32-23/h9-12H,3-8H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDYGLCHWNSYENNU-UHFFFAOYSA-N
XLogP3.62
TPSA123.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[bis(2-methylpropyl)sulfamoyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 3584634
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55786394
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-[cyclohexyl(ethyl)sulfamoyl]benzamide
CID 41149342
N-[2-(cyclohexen-1-yl)ethyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27666353
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32638443
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7295162
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 26095086
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474592
ethyl 3-cyano-2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 5069614
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide;hydrate
CID 16760525

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide (CID 55333768) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2c1.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is DYGLCHWNSYENNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-3-27(4-2)33(30,31)14-9-10-19-16(11-14)17(12-21(28)25-19)22(29)26-23-18(13-24)15-7-5-6-8-20(15)32-23/h9-12H,3-8H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55333768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).