2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide

C23H18N2O5S2 — CID 20962947

IUPAC2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H18N2O5S2/c26-22(18-13-16-5-1-2-7-20(16)30-23(18)27)24-17-10-9-15-6-3-11-25(19(15)14-17)32(28,29)21-8-4-12-31-21/h1-2,4-5,7-10,12-14H,3,6,11H2,(H,24,26)
InChIKeyCKYFDOVXNKBZOH-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.25
Rot. Bonds4

About 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide

2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide (PubChem CID 20962947) has the molecular formula C23H18N2O5S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide
PubChem CID20962947
Molecular FormulaC23H18N2O5S2
Molecular Weight466.54 g/mol
Exact Mass466.07
IUPAC Name2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H18N2O5S2/c26-22(18-13-16-5-1-2-7-20(16)30-23(18)27)24-17-10-9-15-6-3-11-25(19(15)14-17)32(28,29)21-8-4-12-31-21/h1-2,4-5,7-10,12-14H,3,6,11H2,(H,24,26)
InChIKeyCKYFDOVXNKBZOH-UHFFFAOYSA-N
XLogP4.25
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-nitro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 16835304
3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 18578077
N'-(2-methylphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 16823353
N-[[(2R)-oxolan-2-yl]methyl]-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 41192837
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
4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834893
N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide
CID 110744717
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
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
N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 23969465

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide (CID 20962947) is 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide?
The InChIKey is CKYFDOVXNKBZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S2/c26-22(18-13-16-5-1-2-7-20(16)30-23(18)27)24-17-10-9-15-6-3-11-25(19(15)14-17)32(28,29)21-8-4-12-31-21/h1-2,4-5,7-10,12-14H,3,6,11H2,(H,24,26).
What are the key properties of 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide?
2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)chromene-3-carboxamide is sourced from PubChem (CID 20962947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).