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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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).