2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C16H24N2O2S — CID 45106051

IUPAC2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H24N2O2S/c1-12(2)7-9-17-15(20)16(3)8-6-14(19)18(16)11-13-5-4-10-21-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,20)
InChIKeyAUOREIGFINQOBB-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.79
Rot. Bonds6

About 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 45106051) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID45106051
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H24N2O2S/c1-12(2)7-9-17-15(20)16(3)8-6-14(19)18(16)11-13-5-4-10-21-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,20)
InChIKeyAUOREIGFINQOBB-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
Proline scaffold, 32
CID 42618129
N-cyclopentyl-N~2~-(thiophen-2-ylacetyl)-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3242787
1-cyclopentyl-5-oxo-N-(thien-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3245544
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxo-N-(thiophen-2-ylmethyl)prolinamide
CID 3881425
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4425543
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4811995
N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide
CID 9551015
(2S,4S)-4-Fluoro-1-{N-[1-methyl-1-(2-thienyl)-ethyl]glycyl}pyrrolidine-2-carbonitrile
CID 44560154
N,N-dimethyl-5-oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 3811771
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 45106051) is 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1(C)CCC(=O)N1Cc1cccs1.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is AUOREIGFINQOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(2)7-9-17-15(20)16(3)8-6-14(19)18(16)11-13-5-4-10-21-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,20).
What are the key properties of 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45106051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).