methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate

C14H10N2O3S — CID 4053233

IUPACmethyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H10N2O3S/c1-19-14(18)11-6-7-20-13(11)16-12(17)10-4-2-9(8-15)3-5-10/h2-7H,1H3,(H,16,17)
InChIKeyOYTZXAUXDVTAAY-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate

methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate (PubChem CID 4053233) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
PubChem CID4053233
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Namemethyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H10N2O3S/c1-19-14(18)11-6-7-20-13(11)16-12(17)10-4-2-9(8-15)3-5-10/h2-7H,1H3,(H,16,17)
InChIKeyOYTZXAUXDVTAAY-UHFFFAOYSA-N
XLogP2.66
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4293499
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
methyl 3-[(4-cyanobenzoyl)amino]-2-methoxybenzoate
CID 90119614
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
methyl 2-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4172978
methyl 2-[(4-cyanobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate
CID 70006000
2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 3356370
methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 18558965
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate (CID 4053233) is methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is OYTZXAUXDVTAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-19-14(18)11-6-7-20-13(11)16-12(17)10-4-2-9(8-15)3-5-10/h2-7H,1H3,(H,16,17).
What are the key properties of methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate?
methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 4053233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).