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

C21H18FN3O4S — CID 2053132

IUPAC2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)no1
InChIInChI=1S/C21H18FN3O4S/c1-14-10-20(24-29-14)23-21(26)13-30(27,28)19-12-25(18-5-3-2-4-17(18)19)11-15-6-8-16(22)9-7-15/h2-10,12H,11,13H2,1H3,(H,23,24,26)
InChIKeyOLBNHGPJYBDLCQ-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.54
Rot. Bonds6

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

2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2053132) has the molecular formula C21H18FN3O4S and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2053132
Molecular FormulaC21H18FN3O4S
Molecular Weight427.46 g/mol
Exact Mass427.10
IUPAC Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)no1
InChIInChI=1S/C21H18FN3O4S/c1-14-10-20(24-29-14)23-21(26)13-30(27,28)19-12-25(18-5-3-2-4-17(18)19)11-15-6-8-16(22)9-7-15/h2-10,12H,11,13H2,1H3,(H,23,24,26)
InChIKeyOLBNHGPJYBDLCQ-UHFFFAOYSA-N
XLogP3.54
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2053132) is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)no1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OLBNHGPJYBDLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4S/c1-14-10-20(24-29-14)23-21(26)13-30(27,28)19-12-25(18-5-3-2-4-17(18)19)11-15-6-8-16(22)9-7-15/h2-10,12H,11,13H2,1H3,(H,23,24,26).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2053132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).