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

C17H24N2O2S — CID 4306436

IUPACN-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H24N2O2S/c1-17(16(21)18-13-6-3-2-4-7-13)10-9-15(20)19(17)12-14-8-5-11-22-14/h5,8,11,13H,2-4,6-7,9-10,12H2,1H3,(H,18,21)
InChIKeyFBLLCIGGJBIRKZ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.08
Rot. Bonds4

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

N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 4306436) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID4306436
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H24N2O2S/c1-17(16(21)18-13-6-3-2-4-7-13)10-9-15(20)19(17)12-14-8-5-11-22-14/h5,8,11,13H,2-4,6-7,9-10,12H2,1H3,(H,18,21)
InChIKeyFBLLCIGGJBIRKZ-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 4306436) is N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccs1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FBLLCIGGJBIRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-17(16(21)18-13-6-3-2-4-7-13)10-9-15(20)19(17)12-14-8-5-11-22-14/h5,8,11,13H,2-4,6-7,9-10,12H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4306436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).