benzamido thiophene-2-carboxylate

C12H9NO3S — CID 2804175

IUPACbenzamido thiophene-2-carboxylate
SMILESO=C(NOC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H9NO3S/c14-11(9-5-2-1-3-6-9)13-16-12(15)10-7-4-8-17-10/h1-8H,(H,13,14)
InChIKeyKNVRWMQVMDJPMS-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.25
Rot. Bonds2

About benzamido thiophene-2-carboxylate

benzamido thiophene-2-carboxylate (PubChem CID 2804175) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is benzamido thiophene-2-carboxylate.

Molecular Properties

Compound Namebenzamido thiophene-2-carboxylate
PubChem CID2804175
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Namebenzamido thiophene-2-carboxylate
SMILESO=C(NOC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H9NO3S/c14-11(9-5-2-1-3-6-9)13-16-12(15)10-7-4-8-17-10/h1-8H,(H,13,14)
InChIKeyKNVRWMQVMDJPMS-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzoyl thiophene-2-carboxylate
CID 174319053
[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
CID 140844707
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
benzamide;thiophene-2-carboxamide
CID 174752818
N-(thiophen-2-ylmethoxy)benzamide
CID 21191380
benzamido 2-methylbenzoate
CID 5260358
benzamido acetate;ethane
CID 91379738
aminomethyl thiophene-2-carboxylate
CID 142796710
[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate
CID 3585331
phenyl thiophene-2-carboperoxoate
CID 91186228
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635

Frequently Asked Questions

What is the IUPAC name of benzamido thiophene-2-carboxylate?
The IUPAC name of benzamido thiophene-2-carboxylate (CID 2804175) is benzamido thiophene-2-carboxylate.
What is the SMILES notation for benzamido thiophene-2-carboxylate?
The canonical SMILES for benzamido thiophene-2-carboxylate is O=C(NOC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of benzamido thiophene-2-carboxylate?
The InChIKey is KNVRWMQVMDJPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-11(9-5-2-1-3-6-9)13-16-12(15)10-7-4-8-17-10/h1-8H,(H,13,14).
What are the key properties of benzamido thiophene-2-carboxylate?
benzamido thiophene-2-carboxylate has a molecular weight of 247.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido thiophene-2-carboxylate is sourced from PubChem (CID 2804175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).