N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide

C15H24N2O2S2 — CID 19864625

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide
SMILESCCSc1cc(OC)c(C(=O)NCC2CCCN2CC)s1
InChIInChI=1S/C15H24N2O2S2/c1-4-17-8-6-7-11(17)10-16-15(18)14-12(19-3)9-13(21-14)20-5-2/h9,11H,4-8,10H2,1-3H3,(H,16,18)
InChIKeyNXYGEYZIPKJVAJ-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.08
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide (PubChem CID 19864625) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide
PubChem CID19864625
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide
SMILESCCSc1cc(OC)c(C(=O)NCC2CCCN2CC)s1
InChIInChI=1S/C15H24N2O2S2/c1-4-17-8-6-7-11(17)10-16-15(18)14-12(19-3)9-13(21-14)20-5-2/h9,11H,4-8,10H2,1-3H3,(H,16,18)
InChIKeyNXYGEYZIPKJVAJ-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-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-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide (CID 19864625) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide is CCSc1cc(OC)c(C(=O)NCC2CCCN2CC)s1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide?
The InChIKey is NXYGEYZIPKJVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-4-17-8-6-7-11(17)10-16-15(18)14-12(19-3)9-13(21-14)20-5-2/h9,11H,4-8,10H2,1-3H3,(H,16,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide has a molecular weight of 328.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 19864625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).