N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C15H22N2O2S — CID 3371283

IUPACN-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1(C)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C15H22N2O2S/c1-4-11(2)16-14(19)15(3)8-7-13(18)17(15)10-12-6-5-9-20-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyCSKKIHDFNKEHQE-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.54
Rot. Bonds5

About N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 3371283) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID3371283
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1(C)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C15H22N2O2S/c1-4-11(2)16-14(19)15(3)8-7-13(18)17(15)10-12-6-5-9-20-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyCSKKIHDFNKEHQE-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 3371283) is N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CCC(C)NC(=O)C1(C)CCC(=O)N1Cc1cccs1.
What is the InChIKey of N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is CSKKIHDFNKEHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-11(2)16-14(19)15(3)8-7-13(18)17(15)10-12-6-5-9-20-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,19).
What are the key properties of N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3371283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).