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

C13H9NO3S — CID 612354

IUPACN-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
SMILESCC(=O)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C13H9NO3S/c1-7(15)14-12-11-9(6-18-12)8-4-2-3-5-10(8)17-13(11)16/h2-6H,1H3,(H,14,15)
InChIKeyAGLUYGLZNSRGAK-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.97
Rot. Bonds1

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

N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide (PubChem CID 612354) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
PubChem CID612354
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC NameN-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
SMILESCC(=O)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C13H9NO3S/c1-7(15)14-12-11-9(6-18-12)8-4-2-3-5-10(8)17-13(11)16/h2-6H,1H3,(H,14,15)
InChIKeyAGLUYGLZNSRGAK-UHFFFAOYSA-N
XLogP2.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2306193
8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368296
Ethyl 4-(4-methoxyphenyl)-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
CID 1008698
2-[2-(2-Methoxyphenyl)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xamide
CID 674573
2-(diethylamino)-N-(4-oxo-4H-thieno[3,4-c]chromen-3-yl)acetamide
CID 2817011
N-(4-oxo-4H-thieno[3,4-c]chromen-3-yl)-2-(4-phenylpiperazino)acetamide
CID 2817120
N-(4-oxo-4H-thieno[3,4-c]chromen-3-yl)-N'-phenylurea
CID 2817139
ethyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(9H-xanthen-9-ylcarbonyl)amino]-3-thiophenecarboxylate
CID 1010754
Ethyl 2-{[(2E)-3-(4-methoxyphenyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5710767
Ethyl 2-(acetylamino)-7-methoxy-1-benzothiophene-3-carboxylate
CID 711023
Ethyl 2-(acetylamino)-7-(acetyloxy)benzo[b]thiophene-3-carboxylate
CID 838288

Frequently Asked Questions

What is the IUPAC name of N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
The IUPAC name of N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide (CID 612354) is N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide.
What is the SMILES notation for N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
The canonical SMILES for N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide is CC(=O)Nc1scc2c1c(=O)oc1ccccc12.
What is the InChIKey of N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
The InChIKey is AGLUYGLZNSRGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-7(15)14-12-11-9(6-18-12)8-4-2-3-5-10(8)17-13(11)16/h2-6H,1H3,(H,14,15).
What are the key properties of N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide has a molecular weight of 259.29 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide is sourced from PubChem (CID 612354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).