(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate

C17H17NO4S — CID 17446175

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H17NO4S/c19-16(18-8-10-21-11-9-18)15(13-5-2-1-3-6-13)22-17(20)14-7-4-12-23-14/h1-7,12,15H,8-11H2
InChIKeyYXCJWBARVVYQRB-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.51
Rot. Bonds4

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate (PubChem CID 17446175) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
PubChem CID17446175
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H17NO4S/c19-16(18-8-10-21-11-9-18)15(13-5-2-1-3-6-13)22-17(20)14-7-4-12-23-14/h1-7,12,15H,8-11H2
InChIKeyYXCJWBARVVYQRB-UHFFFAOYSA-N
XLogP2.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
CID 18123272
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7716020
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
CID 24519167
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7715959
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7716217

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate (CID 17446175) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate is O=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1cccs1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate?
The InChIKey is YXCJWBARVVYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c19-16(18-8-10-21-11-9-18)15(13-5-2-1-3-6-13)22-17(20)14-7-4-12-23-14/h1-7,12,15H,8-11H2.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate has a molecular weight of 331.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate is sourced from PubChem (CID 17446175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).