N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide

C17H18N2O3S — CID 3235666

IUPACN-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(C(=O)c1ccccc1)N1CCOCC1)c1cccs1
InChIInChI=1S/C17H18N2O3S/c20-15(13-5-2-1-3-6-13)16(19-8-10-22-11-9-19)18-17(21)14-7-4-12-23-14/h1-7,12,16H,8-11H2,(H,18,21)
InChIKeyJCFIOQRTKLVPAV-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.02
Rot. Bonds5

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

N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide (PubChem CID 3235666) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide
PubChem CID3235666
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(C(=O)c1ccccc1)N1CCOCC1)c1cccs1
InChIInChI=1S/C17H18N2O3S/c20-15(13-5-2-1-3-6-13)16(19-8-10-22-11-9-19)18-17(21)14-7-4-12-23-14/h1-7,12,16H,8-11H2,(H,18,21)
InChIKeyJCFIOQRTKLVPAV-UHFFFAOYSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
N-[(2-oxo-2-phenylethyl)carbamothioyl]thiophene-2-carboxamide
CID 1719049
4-tert-Butyl-N-[1-(morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 1894056
(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2097635
4-Methyl-N-[1-(3-morpholin-4-yl-propylcarbamoyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2131946
N-[1-(Morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2262661
4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2525856

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide (CID 3235666) is N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide is O=C(NC(C(=O)c1ccccc1)N1CCOCC1)c1cccs1.
What is the InChIKey of N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is JCFIOQRTKLVPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-15(13-5-2-1-3-6-13)16(19-8-10-22-11-9-19)18-17(21)14-7-4-12-23-14/h1-7,12,16H,8-11H2,(H,18,21).
What are the key properties of N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide?
N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3235666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).