N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide

C17H17NO4S — CID 22334383

IUPACN-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
SMILESCCOCCCNC(=O)c1cc2c(=O)oc3ccccc3c2s1
InChIInChI=1S/C17H17NO4S/c1-2-21-9-5-8-18-16(19)14-10-12-15(23-14)11-6-3-4-7-13(11)22-17(12)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,19)
InChIKeyKOIOIVRJWMOFDE-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.16
Rot. Bonds6

About N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide

N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide (PubChem CID 22334383) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
PubChem CID22334383
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC NameN-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
SMILESCCOCCCNC(=O)c1cc2c(=O)oc3ccccc3c2s1
InChIInChI=1S/C17H17NO4S/c1-2-21-9-5-8-18-16(19)14-10-12-15(23-14)11-6-3-4-7-13(11)22-17(12)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,19)
InChIKeyKOIOIVRJWMOFDE-UHFFFAOYSA-N
XLogP3.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide 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

N-butyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 22423035
N-butan-2-yl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 5202934
8-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 20865578
N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 23827885
N-(2-bromo-4-methylphenyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 22310643
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 6619696
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 55801625
N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 6619669
8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide
CID 20865567
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8962542
N-(3-ethoxypropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24502697

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide (CID 22334383) is N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide is CCOCCCNC(=O)c1cc2c(=O)oc3ccccc3c2s1.
What is the InChIKey of N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide?
The InChIKey is KOIOIVRJWMOFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-2-21-9-5-8-18-16(19)14-10-12-15(23-14)11-6-3-4-7-13(11)22-17(12)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,19).
What are the key properties of N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide?
N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 22334383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).