propan-2-yl 4-(thiophene-2-carbonylamino)benzoate

C15H15NO3S — CID 718334

IUPACpropan-2-yl 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO3S/c1-10(2)19-15(18)11-5-7-12(8-6-11)16-14(17)13-4-3-9-20-13/h3-10H,1-2H3,(H,16,17)
InChIKeyWAQYIWPVXHYBOA-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.57
Rot. Bonds4

About propan-2-yl 4-(thiophene-2-carbonylamino)benzoate

propan-2-yl 4-(thiophene-2-carbonylamino)benzoate (PubChem CID 718334) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is propan-2-yl 4-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(thiophene-2-carbonylamino)benzoate
PubChem CID718334
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namepropan-2-yl 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO3S/c1-10(2)19-15(18)11-5-7-12(8-6-11)16-14(17)13-4-3-9-20-13/h3-10H,1-2H3,(H,16,17)
InChIKeyWAQYIWPVXHYBOA-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029169
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate
CID 18194139
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815212
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 27965444
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815289
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 55374936
2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 55374909
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 43015410

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of propan-2-yl 4-(thiophene-2-carbonylamino)benzoate (CID 718334) is propan-2-yl 4-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for propan-2-yl 4-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for propan-2-yl 4-(thiophene-2-carbonylamino)benzoate is CC(C)OC(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of propan-2-yl 4-(thiophene-2-carbonylamino)benzoate?
The InChIKey is WAQYIWPVXHYBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10(2)19-15(18)11-5-7-12(8-6-11)16-14(17)13-4-3-9-20-13/h3-10H,1-2H3,(H,16,17).
What are the key properties of propan-2-yl 4-(thiophene-2-carbonylamino)benzoate?
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate has a molecular weight of 289.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 718334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).