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

C15H22N2O3S — CID 46948458

IUPACN-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(C)CCN(C(=O)c2sccc2C)C1
InChIInChI=1S/C15H22N2O3S/c1-11-4-9-21-12(11)13(18)17-7-5-15(2,10-17)14(19)16-6-8-20-3/h4,9H,5-8,10H2,1-3H3,(H,16,19)
InChIKeyBONVNUNBKYOCRH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.67
Rot. Bonds5

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

N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 46948458) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID46948458
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(C)CCN(C(=O)c2sccc2C)C1
InChIInChI=1S/C15H22N2O3S/c1-11-4-9-21-12(11)13(18)17-7-5-15(2,10-17)14(19)16-6-8-20-3/h4,9H,5-8,10H2,1-3H3,(H,16,19)
InChIKeyBONVNUNBKYOCRH-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide (CID 46948458) is N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide is COCCNC(=O)C1(C)CCN(C(=O)c2sccc2C)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is BONVNUNBKYOCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-4-9-21-12(11)13(18)17-7-5-15(2,10-17)14(19)16-6-8-20-3/h4,9H,5-8,10H2,1-3H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46948458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).