N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide

C19H23FN2O2S — CID 74244908

IUPACN-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)NCC(c2ccccc2F)N2CCCC2)s1
InChIInChI=1S/C19H23FN2O2S/c1-24-13-14-8-9-18(25-14)19(23)21-12-17(22-10-4-5-11-22)15-6-2-3-7-16(15)20/h2-3,6-9,17H,4-5,10-13H2,1H3,(H,21,23)
InChIKeyXCCXQBZVPYRKLZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.60
Rot. Bonds7

About N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide

N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide (PubChem CID 74244908) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide
PubChem CID74244908
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)NCC(c2ccccc2F)N2CCCC2)s1
InChIInChI=1S/C19H23FN2O2S/c1-24-13-14-8-9-18(25-14)19(23)21-12-17(22-10-4-5-11-22)15-6-2-3-7-16(15)20/h2-3,6-9,17H,4-5,10-13H2,1H3,(H,21,23)
InChIKeyXCCXQBZVPYRKLZ-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide (CID 74244908) is N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide is COCc1ccc(C(=O)NCC(c2ccccc2F)N2CCCC2)s1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The InChIKey is XCCXQBZVPYRKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-24-13-14-8-9-18(25-14)19(23)21-12-17(22-10-4-5-11-22)15-6-2-3-7-16(15)20/h2-3,6-9,17H,4-5,10-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-(methoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 74244908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).