N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide

C16H11NO4S — CID 10969019

IUPACN-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(C(=O)c1cccs1)C2=O
InChIInChI=1S/C16H11NO4S/c1-8(18)17-10-5-2-4-9-12(10)16(21)13(14(9)19)15(20)11-6-3-7-22-11/h2-7,13H,1H3,(H,17,18)
InChIKeyPQKFXMKEVQZLAL-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.58
Rot. Bonds3

About N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide

N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide (PubChem CID 10969019) has the molecular formula C16H11NO4S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide.

Molecular Properties

Compound NameN-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide
PubChem CID10969019
Molecular FormulaC16H11NO4S
Molecular Weight313.33 g/mol
Exact Mass313.04
IUPAC NameN-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(C(=O)c1cccs1)C2=O
InChIInChI=1S/C16H11NO4S/c1-8(18)17-10-5-2-4-9-12(10)16(21)13(14(9)19)15(20)11-6-3-7-22-11/h2-7,13H,1H3,(H,17,18)
InChIKeyPQKFXMKEVQZLAL-UHFFFAOYSA-N
XLogP2.58
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide
CID 98061288
N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide
CID 11133104
2-acetyl-4-(hydroxyamino)indene-1,3-dione
CID 121218470
N-[2-(thiophene-2-carbonyl)phenyl]acetamide
CID 18987253
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
N-(6-bromo-7-methyl-5,8-dioxonaphthalen-1-yl)acetamide
CID 70291421
N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide
CID 11041342
2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one
CID 142757058

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide?
The IUPAC name of N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide (CID 10969019) is N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide.
What is the SMILES notation for N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide?
The canonical SMILES for N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)C(C(=O)c1cccs1)C2=O.
What is the InChIKey of N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide?
The InChIKey is PQKFXMKEVQZLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4S/c1-8(18)17-10-5-2-4-9-12(10)16(21)13(14(9)19)15(20)11-6-3-7-22-11/h2-7,13H,1H3,(H,17,18).
What are the key properties of N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide?
N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dioxo-2-(thiophene-2-carbonyl)inden-4-yl]acetamide is sourced from PubChem (CID 10969019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).