4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide

C21H17NO3S — CID 4207761

IUPAC4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)cc1
InChIInChI=1S/C21H17NO3S/c1-12(2)13-7-9-14(10-8-13)22-20(23)18-11-16-19(26-18)15-5-3-4-6-17(15)25-21(16)24/h3-12H,1-2H3,(H,22,23)
InChIKeyKACHYXJWQRPSDC-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.38
Rot. Bonds3

About 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide

4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide (PubChem CID 4207761) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide
PubChem CID4207761
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)cc1
InChIInChI=1S/C21H17NO3S/c1-12(2)13-7-9-14(10-8-13)22-20(23)18-11-16-19(26-18)15-5-3-4-6-17(15)25-21(16)24/h3-12H,1-2H3,(H,22,23)
InChIKeyKACHYXJWQRPSDC-UHFFFAOYSA-N
XLogP5.38
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.38
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 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide (CID 4207761) is 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide is CC(C)c1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)cc1.
What is the InChIKey of 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is KACHYXJWQRPSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c1-12(2)13-7-9-14(10-8-13)22-20(23)18-11-16-19(26-18)15-5-3-4-6-17(15)25-21(16)24/h3-12H,1-2H3,(H,22,23).
What are the key properties of 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide?
4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-propan-2-ylphenyl)thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 4207761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).