N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide

C20H15NO5S — CID 12006070

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C20H15NO5S/c22-19(17-12-14-6-4-5-9-18(14)26-20(17)23)21(15-7-2-1-3-8-15)16-10-11-27(24,25)13-16/h1-12,16H,13H2
InChIKeySQSUBGMHPGIGRG-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.75
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 12006070) has the molecular formula C20H15NO5S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID12006070
Molecular FormulaC20H15NO5S
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C20H15NO5S/c22-19(17-12-14-6-4-5-9-18(14)26-20(17)23)21(15-7-2-1-3-8-15)16-10-11-27(24,25)13-16/h1-12,16H,13H2
InChIKeySQSUBGMHPGIGRG-UHFFFAOYSA-N
XLogP2.75
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide (CID 12006070) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(c1ccccc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is SQSUBGMHPGIGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5S/c22-19(17-12-14-6-4-5-9-18(14)26-20(17)23)21(15-7-2-1-3-8-15)16-10-11-27(24,25)13-16/h1-12,16H,13H2.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 12006070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).