2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C19H21N3O2S — CID 56892949

IUPAC2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1ccc(CN2CCC3(C2)C(=O)N(CC(N)=O)c2ccccc23)s1
InChIInChI=1S/C19H21N3O2S/c1-13-6-7-14(25-13)10-21-9-8-19(12-21)15-4-2-3-5-16(15)22(18(19)24)11-17(20)23/h2-7H,8-12H2,1H3,(H2,20,23)
InChIKeyGJRVHDPIHUPTNE-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.03
Rot. Bonds4

About 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 56892949) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID56892949
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1ccc(CN2CCC3(C2)C(=O)N(CC(N)=O)c2ccccc23)s1
InChIInChI=1S/C19H21N3O2S/c1-13-6-7-14(25-13)10-21-9-8-19(12-21)15-4-2-3-5-16(15)22(18(19)24)11-17(20)23/h2-7H,8-12H2,1H3,(H2,20,23)
InChIKeyGJRVHDPIHUPTNE-UHFFFAOYSA-N
XLogP2.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 56892949) is 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is Cc1ccc(CN2CCC3(C2)C(=O)N(CC(N)=O)c2ccccc23)s1.
What is the InChIKey of 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is GJRVHDPIHUPTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-6-7-14(25-13)10-21-9-8-19(12-21)15-4-2-3-5-16(15)22(18(19)24)11-17(20)23/h2-7H,8-12H2,1H3,(H2,20,23).
What are the key properties of 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 56892949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).