2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide

C20H19NO4S — CID 3170088

IUPAC2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C20H19NO4S/c22-19(17-11-14-5-1-2-8-18(14)25-20(17)23)21(12-15-6-3-9-24-15)13-16-7-4-10-26-16/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2
InChIKeyIDPCPTRHHUVZGC-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.68
Rot. Bonds5

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

2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide (PubChem CID 3170088) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
PubChem CID3170088
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C20H19NO4S/c22-19(17-11-14-5-1-2-8-18(14)25-20(17)23)21(12-15-6-3-9-24-15)13-16-7-4-10-26-16/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2
InChIKeyIDPCPTRHHUVZGC-UHFFFAOYSA-N
XLogP3.68
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.68
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-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide (CID 3170088) is 2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is IDPCPTRHHUVZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c22-19(17-11-14-5-1-2-8-18(14)25-20(17)23)21(12-15-6-3-9-24-15)13-16-7-4-10-26-16/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2.
What are the key properties of 2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide?
2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 3170088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).