2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide

C20H15NO3S2 — CID 1433005

IUPAC2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H15NO3S2/c22-19(17-11-14-5-1-2-8-18(14)24-20(17)23)21(12-15-6-3-9-25-15)13-16-7-4-10-26-16/h1-11H,12-13H2
InChIKeyXBOXFTYLLBAZLO-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.76
Rot. Bonds5

About 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide

2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide (PubChem CID 1433005) has the molecular formula C20H15NO3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide
PubChem CID1433005
Molecular FormulaC20H15NO3S2
Molecular Weight381.48 g/mol
Exact Mass381.05
IUPAC Name2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H15NO3S2/c22-19(17-11-14-5-1-2-8-18(14)24-20(17)23)21(12-15-6-3-9-25-15)13-16-7-4-10-26-16/h1-11H,12-13H2
InChIKeyXBOXFTYLLBAZLO-UHFFFAOYSA-N
XLogP4.76
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.76
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 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide (CID 1433005) is 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is XBOXFTYLLBAZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S2/c22-19(17-11-14-5-1-2-8-18(14)24-20(17)23)21(12-15-6-3-9-25-15)13-16-7-4-10-26-16/h1-11H,12-13H2.
What are the key properties of 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide?
2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 1433005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).