2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C29H23N3O3S3 — CID 18900203

About 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 18900203) has the molecular formula C29H23N3O3S3 and a molecular weight of 557.72 g/mol. Its IUPAC name is 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 18900203
• Molecular Formula: C29H23N3O3S3
• Molecular Weight: 557.72 g/mol
• Exact Mass: 557.09
• IUPAC Name: 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
• SMILES: O=C(COc1ccccc1)Nc1cccc(SC(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2)c1
• InChI: InChI=1S/C29H23N3O3S3/c33-26(18-35-22-12-5-2-6-13-22)30-21-11-7-14-23(17-21)38-27(20-9-3-1-4-10-20)28(34)32-29-31-24(19-37-29)25-15-8-16-36-25/h1-17,19,27H,18H2,(H,30,33)(H,31,32,34)
• InChIKey: UYXJGHJVMYGYPA-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.72
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 18900203) is 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is O=C(COc1ccccc1)Nc1cccc(SC(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2)c1.

What is the InChIKey of 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is UYXJGHJVMYGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3S3/c33-26(18-35-22-12-5-2-6-13-22)30-21-11-7-14-23(17-21)38-27(20-9-3-1-4-10-20)28(34)32-29-31-24(19-37-29)25-15-8-16-36-25/h1-17,19,27H,18H2,(H,30,33)(H,31,32,34).

What are the key properties of 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?

2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 557.72 g/mol, XLogP of 7.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18900203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).