2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide

C16H24N2O2S — CID 46948165

IUPAC2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccsc1C(=O)N1CCCC1(C)C(=O)NCC(C)C
InChIInChI=1S/C16H24N2O2S/c1-11(2)10-17-15(20)16(4)7-5-8-18(16)14(19)13-12(3)6-9-21-13/h6,9,11H,5,7-8,10H2,1-4H3,(H,17,20)
InChIKeyLKTULPHSENWBTE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide

2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 46948165) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID46948165
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccsc1C(=O)N1CCCC1(C)C(=O)NCC(C)C
InChIInChI=1S/C16H24N2O2S/c1-11(2)10-17-15(20)16(4)7-5-8-18(16)14(19)13-12(3)6-9-21-13/h6,9,11H,5,7-8,10H2,1-4H3,(H,17,20)
InChIKeyLKTULPHSENWBTE-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 46948165) is 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide is Cc1ccsc1C(=O)N1CCCC1(C)C(=O)NCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LKTULPHSENWBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(2)10-17-15(20)16(4)7-5-8-18(16)14(19)13-12(3)6-9-21-13/h6,9,11H,5,7-8,10H2,1-4H3,(H,17,20).
What are the key properties of 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide?
2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46948165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).