N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide

C13H11NO3S — CID 82121621

IUPACN-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1NC(=O)C(=O)c1cccs1
InChIInChI=1S/C13H11NO3S/c1-17-10-6-3-2-5-9(10)14-13(16)12(15)11-7-4-8-18-11/h2-8H,1H3,(H,14,16)
InChIKeyKCOSEXKCIHWRDA-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.58
Rot. Bonds4

About N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide

N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide (PubChem CID 82121621) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
PubChem CID82121621
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC NameN-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1NC(=O)C(=O)c1cccs1
InChIInChI=1S/C13H11NO3S/c1-17-10-6-3-2-5-9(10)14-13(16)12(15)11-7-4-8-18-11/h2-8H,1H3,(H,14,16)
InChIKeyKCOSEXKCIHWRDA-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
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methyl 2-oxo-2-thiophen-2-ylacetate
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N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
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N-[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630801
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
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ethane;(2-methoxyphenyl)urea
CID 143063924
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
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2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide (CID 82121621) is N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide is COc1ccccc1NC(=O)C(=O)c1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide?
The InChIKey is KCOSEXKCIHWRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-17-10-6-3-2-5-9(10)14-13(16)12(15)11-7-4-8-18-11/h2-8H,1H3,(H,14,16).
What are the key properties of N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide?
N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide has a molecular weight of 261.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide is sourced from PubChem (CID 82121621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).