2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide

C17H25N3O2S — CID 46983442

IUPAC2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccsc1CN(C(=O)C1CCCN1C(N)=O)C1CCCC1
InChIInChI=1S/C17H25N3O2S/c1-12-8-10-23-15(12)11-20(13-5-2-3-6-13)16(21)14-7-4-9-19(14)17(18)22/h8,10,13-14H,2-7,9,11H2,1H3,(H2,18,22)
InChIKeyIFQJYIUYXMASAG-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.87
Rot. Bonds4

About 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide

2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 46983442) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID46983442
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccsc1CN(C(=O)C1CCCN1C(N)=O)C1CCCC1
InChIInChI=1S/C17H25N3O2S/c1-12-8-10-23-15(12)11-20(13-5-2-3-6-13)16(21)14-7-4-9-19(14)17(18)22/h8,10,13-14H,2-7,9,11H2,1H3,(H2,18,22)
InChIKeyIFQJYIUYXMASAG-UHFFFAOYSA-N
XLogP2.87
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide (CID 46983442) is 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide is Cc1ccsc1CN(C(=O)C1CCCN1C(N)=O)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is IFQJYIUYXMASAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12-8-10-23-15(12)11-20(13-5-2-3-6-13)16(21)14-7-4-9-19(14)17(18)22/h8,10,13-14H,2-7,9,11H2,1H3,(H2,18,22).
What are the key properties of 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide?
2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 46983442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).