1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone

C31H27NO4S — CID 149139518

IUPAC1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
SMILESO=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccsc3)cc2)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C31H27NO4S/c33-29(24-9-11-28(12-10-24)32-14-16-36-17-15-32)19-22-1-5-25(6-2-22)31(35)26-7-3-23(4-8-26)20-30(34)27-13-18-37-21-27/h1-13,18,21H,14-17,19-20H2
InChIKeyRHJNIDNDVBGTNM-UHFFFAOYSA-N
MW509.63 g/mol
LogP5.67
Rot. Bonds9

About 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone

1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone (PubChem CID 149139518) has the molecular formula C31H27NO4S and a molecular weight of 509.63 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
PubChem CID149139518
Molecular FormulaC31H27NO4S
Molecular Weight509.63 g/mol
Exact Mass509.17
IUPAC Name1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
SMILESO=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccsc3)cc2)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C31H27NO4S/c33-29(24-9-11-28(12-10-24)32-14-16-36-17-15-32)19-22-1-5-25(6-2-22)31(35)26-7-3-23(4-8-26)20-30(34)27-13-18-37-21-27/h1-13,18,21H,14-17,19-20H2
InChIKeyRHJNIDNDVBGTNM-UHFFFAOYSA-N
XLogP5.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.63
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone with MolForge

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Related Compounds

2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone
CID 149018348
2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 147593582
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
CID 90024820
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 45497639
2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216761
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone
CID 70063959
N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide
CID 141124736
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone (CID 149139518) is 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone is O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccsc3)cc2)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone?
The InChIKey is RHJNIDNDVBGTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO4S/c33-29(24-9-11-28(12-10-24)32-14-16-36-17-15-32)19-22-1-5-25(6-2-22)31(35)26-7-3-23(4-8-26)20-30(34)27-13-18-37-21-27/h1-13,18,21H,14-17,19-20H2.
What are the key properties of 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone?
1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone has a molecular weight of 509.63 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone is sourced from PubChem (CID 149139518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).