[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone

C17H20N2O2S — CID 110364184

IUPAC[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1ccc(C2CN(C(=O)c3cccs3)CCO2)cc1
InChIInChI=1S/C17H20N2O2S/c1-18(2)14-7-5-13(6-8-14)15-12-19(9-10-21-15)17(20)16-4-3-11-22-16/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeyJLZKHXJXRYWQOE-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.03
Rot. Bonds3

About [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone

[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone (PubChem CID 110364184) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone
PubChem CID110364184
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1ccc(C2CN(C(=O)c3cccs3)CCO2)cc1
InChIInChI=1S/C17H20N2O2S/c1-18(2)14-7-5-13(6-8-14)15-12-19(9-10-21-15)17(20)16-4-3-11-22-16/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeyJLZKHXJXRYWQOE-UHFFFAOYSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42949369
1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364204
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 124997234
[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134770
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 110364195
N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 60586938
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline
CID 110364270
[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 95847898
[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42588743
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 46579199
N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
CID 55948792
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone (CID 110364184) is [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone is CN(C)c1ccc(C2CN(C(=O)c3cccs3)CCO2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is JLZKHXJXRYWQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-18(2)14-7-5-13(6-8-14)15-12-19(9-10-21-15)17(20)16-4-3-11-22-16/h3-8,11,15H,9-10,12H2,1-2H3.
What are the key properties of [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone?
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110364184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).