2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

C23H21N3O4S2 — CID 16507503

IUPAC2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4S2/c1-28-17-11-14(12-18(29-2)21(17)30-3)24-20(27)13-32-23-15-7-4-5-8-16(15)25-22(26-23)19-9-6-10-31-19/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeyPZBCDDGEEIWVOP-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.11
Rot. Bonds8

About 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 16507503) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID16507503
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4S2/c1-28-17-11-14(12-18(29-2)21(17)30-3)24-20(27)13-32-23-15-7-4-5-8-16(15)25-22(26-23)19-9-6-10-31-19/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeyPZBCDDGEEIWVOP-UHFFFAOYSA-N
XLogP5.11
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (CID 16507503) is 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is PZBCDDGEEIWVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-28-17-11-14(12-18(29-2)21(17)30-3)24-20(27)13-32-23-15-7-4-5-8-16(15)25-22(26-23)19-9-6-10-31-19/h4-12H,13H2,1-3H3,(H,24,27).
What are the key properties of 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 467.57 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 16507503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).