2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide

C24H27N5O4S — CID 11329134

About 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 11329134) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
• PubChem CID: 11329134
• Molecular Formula: C24H27N5O4S
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.18
• IUPAC Name: 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)CSCC(=O)Nc3ccccc3)cc2)no1
• InChI: InChI=1S/C24H27N5O4S/c1-24(2,3)19-13-20(29-33-19)28-23(32)27-18-11-9-17(10-12-18)26-22(31)15-34-14-21(30)25-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H,25,30)(H,26,31)(H2,27,28,29,32)
• InChIKey: VRXHHCIOPJAUJW-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 125.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide?

The IUPAC name of 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 11329134) is 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide.

What is the SMILES notation for 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide?

The canonical SMILES for 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)CSCC(=O)Nc3ccccc3)cc2)no1.

What is the InChIKey of 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide?

The InChIKey is VRXHHCIOPJAUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-24(2,3)19-13-20(29-33-19)28-23(32)27-18-11-9-17(10-12-18)26-22(31)15-34-14-21(30)25-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H,25,30)(H,26,31)(H2,27,28,29,32).

What are the key properties of 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide?

2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 481.58 g/mol, XLogP of 4.93, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 11329134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).