N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide

C16H13NO3S — CID 6619669

IUPACN-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc2oc(=O)c3cc(C(=O)NC4CC4)sc3c2c1
InChIInChI=1S/C16H13NO3S/c1-8-2-5-12-10(6-8)14-11(16(19)20-12)7-13(21-14)15(18)17-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18)
InChIKeyBIETYWMDQVCHLC-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.21
Rot. Bonds2

About N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide

N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide (PubChem CID 6619669) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
PubChem CID6619669
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC NameN-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc2oc(=O)c3cc(C(=O)NC4CC4)sc3c2c1
InChIInChI=1S/C16H13NO3S/c1-8-2-5-12-10(6-8)14-11(16(19)20-12)7-13(21-14)15(18)17-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18)
InChIKeyBIETYWMDQVCHLC-UHFFFAOYSA-N
XLogP3.21
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide (CID 6619669) is N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide is Cc1ccc2oc(=O)c3cc(C(=O)NC4CC4)sc3c2c1.
What is the InChIKey of N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide?
The InChIKey is BIETYWMDQVCHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-8-2-5-12-10(6-8)14-11(16(19)20-12)7-13(21-14)15(18)17-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide?
N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 6619669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).