[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate

C19H20N2O5S — CID 18130717

IUPAC[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
SMILESCC1CN(C(=O)COC(=O)c2ccc(NC(=O)c3cccs3)cc2)CCO1
InChIInChI=1S/C19H20N2O5S/c1-13-11-21(8-9-25-13)17(22)12-26-19(24)14-4-6-15(7-5-14)20-18(23)16-3-2-10-27-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,23)
InChIKeySWLHDKWUXIIXSB-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.40
Rot. Bonds5

About [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate (PubChem CID 18130717) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
PubChem CID18130717
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
SMILESCC1CN(C(=O)COC(=O)c2ccc(NC(=O)c3cccs3)cc2)CCO1
InChIInChI=1S/C19H20N2O5S/c1-13-11-21(8-9-25-13)17(22)12-26-19(24)14-4-6-15(7-5-14)20-18(23)16-3-2-10-27-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,23)
InChIKeySWLHDKWUXIIXSB-UHFFFAOYSA-N
XLogP2.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate with MolForge

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Related Compounds

[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491883
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491891
[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029158
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815212
2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2642115
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 33065558
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 4652070
[2-(4-bromophenyl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029130
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808159

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate (CID 18130717) is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate is CC1CN(C(=O)COC(=O)c2ccc(NC(=O)c3cccs3)cc2)CCO1.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate?
The InChIKey is SWLHDKWUXIIXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13-11-21(8-9-25-13)17(22)12-26-19(24)14-4-6-15(7-5-14)20-18(23)16-3-2-10-27-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate?
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate has a molecular weight of 388.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 18130717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).