N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide

C18H22N2O3S — CID 71985097

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide
SMILESCC(O)(CNC(=O)c1ccccc1N1CCOCC1)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-18(22,16-7-4-12-24-16)13-19-17(21)14-5-2-3-6-15(14)20-8-10-23-11-9-20/h2-7,12,22H,8-11,13H2,1H3,(H,19,21)
InChIKeyJDRFGSMVQNEDQK-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.22
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide (PubChem CID 71985097) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide
PubChem CID71985097
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide
SMILESCC(O)(CNC(=O)c1ccccc1N1CCOCC1)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-18(22,16-7-4-12-24-16)13-19-17(21)14-5-2-3-6-15(14)20-8-10-23-11-9-20/h2-7,12,22H,8-11,13H2,1H3,(H,19,21)
InChIKeyJDRFGSMVQNEDQK-UHFFFAOYSA-N
XLogP2.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 90499911
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440525
2-morpholin-4-ylbenzohydrazide
CID 7148386
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
CID 111442284
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 111442055
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 46635222
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide (CID 71985097) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide is CC(O)(CNC(=O)c1ccccc1N1CCOCC1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide?
The InChIKey is JDRFGSMVQNEDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(22,16-7-4-12-24-16)13-19-17(21)14-5-2-3-6-15(14)20-8-10-23-11-9-20/h2-7,12,22H,8-11,13H2,1H3,(H,19,21).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 71985097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).