4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

C17H19ClN2O2S — CID 17014733

IUPAC4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c18-14-5-3-13(4-6-14)17(21)19-12-15(16-2-1-11-23-16)20-7-9-22-10-8-20/h1-6,11,15H,7-10,12H2,(H,19,21)
InChIKeyKXWBCHBWVTTZFD-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.20
Rot. Bonds5

About 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 17014733) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID17014733
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c18-14-5-3-13(4-6-14)17(21)19-12-15(16-2-1-11-23-16)20-7-9-22-10-8-20/h1-6,11,15H,7-10,12H2,(H,19,21)
InChIKeyKXWBCHBWVTTZFD-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10232332
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
7-chloro-N-(2-methoxyethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602796
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
3,6-dichloro-N-(2-morpholinoethyl)benzo[b]thiophene-2-carboxamide
CID 980359
3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 4035024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 17014733) is 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is KXWBCHBWVTTZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-14-5-3-13(4-6-14)17(21)19-12-15(16-2-1-11-23-16)20-7-9-22-10-8-20/h1-6,11,15H,7-10,12H2,(H,19,21).
What are the key properties of 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 350.87 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17014733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).