2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H18ClN3O4S — CID 30292022

About 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 30292022) has the molecular formula C21H18ClN3O4S and a molecular weight of 443.91 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 30292022
• Molecular Formula: C21H18ClN3O4S
• Molecular Weight: 443.91 g/mol
• Exact Mass: 443.07
• IUPAC Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(Cl)cc3)c3ccccc32)no1
• InChI: InChI=1S/C21H18ClN3O4S/c1-14-10-20(24-29-14)23-21(26)12-25-11-19(17-4-2-3-5-18(17)25)30(27,28)13-15-6-8-16(22)9-7-15/h2-11H,12-13H2,1H3,(H,23,24,26)
• InChIKey: OSJXKNYUKNLWFY-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 94.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.91
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 30292022) is 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(Cl)cc3)c3ccccc32)no1.

What is the InChIKey of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is OSJXKNYUKNLWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S/c1-14-10-20(24-29-14)23-21(26)12-25-11-19(17-4-2-3-5-18(17)25)30(27,28)13-15-6-8-16(22)9-7-15/h2-11H,12-13H2,1H3,(H,23,24,26).

What are the key properties of 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 443.91 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 30292022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).