2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide

C17H18N2O3S — CID 2817011

IUPAC2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C17H18N2O3S/c1-3-19(4-2)9-14(20)18-16-15-12(10-23-16)11-7-5-6-8-13(11)22-17(15)21/h5-8,10H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyWHJOKSDRDMWNHE-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.29
Rot. Bonds5

About 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide

2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide (PubChem CID 2817011) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
PubChem CID2817011
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C17H18N2O3S/c1-3-19(4-2)9-14(20)18-16-15-12(10-23-16)11-7-5-6-8-13(11)22-17(15)21/h5-8,10H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyWHJOKSDRDMWNHE-UHFFFAOYSA-N
XLogP3.29
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide
CID 139380860
2-(diethylamino)-N-(2-oxo-4-piperidin-1-ylchromen-3-yl)acetamide;hydrochloride
CID 24832216
3-[1-(4-phenylphenyl)ethenylamino]thieno[3,4-c]chromen-4-one
CID 154608035
3-[[(Z)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]thieno[3,4-c]chromen-4-one
CID 98475354
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395
N-(6-oxobenzo[c]chromen-7-yl)acetamide
CID 69024767
4-(diethylaminomethyl)-3-hydroxychromen-2-one
CID 125486554
1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea
CID 6471719
N-benzyl-2-(diethylamino)acetamide
CID 969777
ethyl 3-[[(4Z)-4-(4-iminothieno[3,4-c]chromen-3-yl)iminothieno[3,4-c]chromen-3-yl]amino]-3-oxopropanoate
CID 135950965
2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
CID 3058817
ethyl 3-[[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylate
CID 8905653

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
The IUPAC name of 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide (CID 2817011) is 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide.
What is the SMILES notation for 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
The canonical SMILES for 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide is CCN(CC)CC(=O)Nc1scc2c1c(=O)oc1ccccc12.
What is the InChIKey of 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
The InChIKey is WHJOKSDRDMWNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-19(4-2)9-14(20)18-16-15-12(10-23-16)11-7-5-6-8-13(11)22-17(15)21/h5-8,10H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide is sourced from PubChem (CID 2817011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).