1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide

C17H26N2O2S — CID 51085674

IUPAC1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN2C(=O)C(C)(C)C)s1
InChIInChI=1S/C17H26N2O2S/c1-5-12-8-9-13(22-12)11-18-15(20)14-7-6-10-19(14)16(21)17(2,3)4/h8-9,14H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyLBAUFIZHZZITCA-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.96
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 51085674) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID51085674
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN2C(=O)C(C)(C)C)s1
InChIInChI=1S/C17H26N2O2S/c1-5-12-8-9-13(22-12)11-18-15(20)14-7-6-10-19(14)16(21)17(2,3)4/h8-9,14H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyLBAUFIZHZZITCA-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-ethylthiophen-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 106005540
N-[(5-phenylthiophen-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110292509
N-(2,2-difluoro-3-hydroxypropyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 104862896
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 62346982
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093
1-(2-aminoacetyl)-N-[[5-[(Z)-C-aminocarbonohydrazonoyl]thiophen-2-yl]methyl]pyrrolidine-2-carboxamide;butane
CID 142004694
1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane
CID 142004668
1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 55609235
(2S)-2-N-[(5-methylthiophen-2-yl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 95336171
1-(2,2-dimethylpropanoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51120280
(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94119106
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 51085663

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide (CID 51085674) is 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide is CCc1ccc(CNC(=O)C2CCCN2C(=O)C(C)(C)C)s1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is LBAUFIZHZZITCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-5-12-8-9-13(22-12)11-18-15(20)14-7-6-10-19(14)16(21)17(2,3)4/h8-9,14H,5-7,10-11H2,1-4H3,(H,18,20).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51085674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).