ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate

C15H15NO4S — CID 63616683

IUPACethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1cccc(O)c1
InChIInChI=1S/C15H15NO4S/c1-3-20-15(19)12-7-9(2)21-14(12)16-13(18)10-5-4-6-11(17)8-10/h4-8,17H,3H2,1-2H3,(H,16,18)
InChIKeyPLQBCPYKFIUFKX-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.19
Rot. Bonds4

About ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate

ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 63616683) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID63616683
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Nameethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1cccc(O)c1
InChIInChI=1S/C15H15NO4S/c1-3-20-15(19)12-7-9(2)21-14(12)16-13(18)10-5-4-6-11(17)8-10/h4-8,17H,3H2,1-2H3,(H,16,18)
InChIKeyPLQBCPYKFIUFKX-UHFFFAOYSA-N
XLogP3.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 1038105
ethyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60793261
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
ethyl 5-ethyl-2-[[3-(methoxymethyl)benzoyl]amino]thiophene-3-carboxylate
CID 33146285
ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate
CID 60795100
ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 63617190
ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874629
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794403
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
CID 65216558
ethyl 2-[(1-aminocyclopropanecarbonyl)amino]-5-methylthiophene-3-carboxylate
CID 65457704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate (CID 63616683) is ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)c1cccc(O)c1.
What is the InChIKey of ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is PLQBCPYKFIUFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-20-15(19)12-7-9(2)21-14(12)16-13(18)10-5-4-6-11(17)8-10/h4-8,17H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate?
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 63616683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).