N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide

C17H15NO4S — CID 90583931

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide
SMILESCOC(CNC(=O)c1cc2ccccc2oc1=O)c1ccsc1
InChIInChI=1S/C17H15NO4S/c1-21-15(12-6-7-23-10-12)9-18-16(19)13-8-11-4-2-3-5-14(11)22-17(13)20/h2-8,10,15H,9H2,1H3,(H,18,19)
InChIKeyTWPAUBZOGVYZJM-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.97
Rot. Bonds5

About N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide

N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide (PubChem CID 90583931) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide
PubChem CID90583931
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide
SMILESCOC(CNC(=O)c1cc2ccccc2oc1=O)c1ccsc1
InChIInChI=1S/C17H15NO4S/c1-21-15(12-6-7-23-10-12)9-18-16(19)13-8-11-4-2-3-5-14(11)22-17(13)20/h2-8,10,15H,9H2,1H3,(H,18,19)
InChIKeyTWPAUBZOGVYZJM-UHFFFAOYSA-N
XLogP2.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 90598012
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-oxochromene-3-carboxamide
CID 122161369
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 41318549
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 154578174
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757
2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583971
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide (CID 90583931) is N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide is COC(CNC(=O)c1cc2ccccc2oc1=O)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide?
The InChIKey is TWPAUBZOGVYZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-21-15(12-6-7-23-10-12)9-18-16(19)13-8-11-4-2-3-5-14(11)22-17(13)20/h2-8,10,15H,9H2,1H3,(H,18,19).
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide?
N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 90583931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).