2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

C30H26N4O4S — CID 135351538

IUPAC2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2C1=O
InChIInChI=1S/C30H26N4O4S/c35-27(32-30-31-11-16-39-30)26(20-5-2-1-3-6-20)34-19-24-10-9-22(18-25(24)29(34)37)21-7-4-8-23(17-21)28(36)33-12-14-38-15-13-33/h1-11,16-18,26H,12-15,19H2,(H,31,32,35)
InChIKeySQTFQPNZPMHBCM-UHFFFAOYSA-N
MW538.63 g/mol
LogP4.62
Rot. Bonds6

About 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135351538) has the molecular formula C30H26N4O4S and a molecular weight of 538.63 g/mol. Its IUPAC name is 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135351538
Molecular FormulaC30H26N4O4S
Molecular Weight538.63 g/mol
Exact Mass538.17
IUPAC Name2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2C1=O
InChIInChI=1S/C30H26N4O4S/c35-27(32-30-31-11-16-39-30)26(20-5-2-1-3-6-20)34-19-24-10-9-22(18-25(24)29(34)37)21-7-4-8-23(17-21)28(36)33-12-14-38-15-13-33/h1-11,16-18,26H,12-15,19H2,(H,31,32,35)
InChIKeySQTFQPNZPMHBCM-UHFFFAOYSA-N
XLogP4.62
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[4-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 135351561
4-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]benzoic acid
CID 135351539
(2R)-2-[5-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 139417013
(2R)-2-[5-[4-(3-morpholin-4-ylpropylsulfinamoyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 166910411
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
(2R)-2-[3-oxo-5-(2-pyridin-3-ylethynyl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 175748502
2-[5-[4-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 146492981
2-[5-[6-[4-[3-(2-aminoethoxy)propanoyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 170559971
2-[5-[2-(6-amino-3-pyridinyl)ethynyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 137353183
2-[5-[4-[4-[3-[2-[2-[2-[2-(3-methylsulfanylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 138534362
2-[3-oxo-5-[4-[4-[2-[2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 166950794
tert-butyl 2-[4-[5-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]-2-pyridinyl]piperazin-1-yl]acetate
CID 138534381

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 135351538) is 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2C1=O.
What is the InChIKey of 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SQTFQPNZPMHBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4S/c35-27(32-30-31-11-16-39-30)26(20-5-2-1-3-6-20)34-19-24-10-9-22(18-25(24)29(34)37)21-7-4-8-23(17-21)28(36)33-12-14-38-15-13-33/h1-11,16-18,26H,12-15,19H2,(H,31,32,35).
What are the key properties of 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 538.63 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(morpholine-4-carbonyl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135351538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).