[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate

C20H17NO4S — CID 34736693

IUPAC[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H17NO4S/c1-2-24-16-9-5-14(6-10-16)20(23)25-17-11-7-15(8-12-17)21-19(22)18-4-3-13-26-18/h3-13H,2H2,1H3,(H,21,22)
InChIKeyJDQAKAIBIZLISN-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.62
Rot. Bonds6

About [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate

[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate (PubChem CID 34736693) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
PubChem CID34736693
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H17NO4S/c1-2-24-16-9-5-14(6-10-16)20(23)25-17-11-7-15(8-12-17)21-19(22)18-4-3-13-26-18/h3-13H,2H2,1H3,(H,21,22)
InChIKeyJDQAKAIBIZLISN-UHFFFAOYSA-N
XLogP4.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
CID 19645321
[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate
CID 30250811
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
[4-(thiophene-2-carbonylamino)phenyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 35607726
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999157
2-(4-ethoxyphenoxy)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492050
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1341426
[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 19184736
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 34752632
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815212

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate (CID 34736693) is [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate?
The InChIKey is JDQAKAIBIZLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-2-24-16-9-5-14(6-10-16)20(23)25-17-11-7-15(8-12-17)21-19(22)18-4-3-13-26-18/h3-13H,2H2,1H3,(H,21,22).
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate?
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate has a molecular weight of 367.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate is sourced from PubChem (CID 34736693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).