2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide

C17H13NO3S — CID 110741738

IUPAC2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide
SMILESO=C(NC1CC1c1cccs1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H13NO3S/c19-16(18-13-9-11(13)15-6-3-7-22-15)12-8-10-4-1-2-5-14(10)21-17(12)20/h1-8,11,13H,9H2,(H,18,19)
InChIKeyVLZMVWSEWAXURE-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.14
Rot. Bonds3

About 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide

2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide (PubChem CID 110741738) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide
PubChem CID110741738
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide
SMILESO=C(NC1CC1c1cccs1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H13NO3S/c19-16(18-13-9-11(13)15-6-3-7-22-15)12-8-10-4-1-2-5-14(10)21-17(12)20/h1-8,11,13H,9H2,(H,18,19)
InChIKeyVLZMVWSEWAXURE-UHFFFAOYSA-N
XLogP3.14
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 62365593
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
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N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
N-(2-methyl-1-thiophen-2-ylpropyl)-2-oxochromene-3-carboxamide
CID 46692009
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569573
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569569
4-methyl-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711228
N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide
CID 110741734
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-oxochromene-3-carboxamide
CID 71787831
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide
CID 121131705

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide (CID 110741738) is 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide is O=C(NC1CC1c1cccs1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide?
The InChIKey is VLZMVWSEWAXURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-16(18-13-9-11(13)15-6-3-7-22-15)12-8-10-4-1-2-5-14(10)21-17(12)20/h1-8,11,13H,9H2,(H,18,19).
What are the key properties of 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide?
2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide is sourced from PubChem (CID 110741738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).