N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide

C13H21N3O4S2 — CID 136512530

IUPACN-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)NC2CCN(CCOC)C2)c1
InChIInChI=1S/C13H21N3O4S2/c1-14-22(18,19)11-7-12(21-9-11)13(17)15-10-3-4-16(8-10)5-6-20-2/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyICMPIAYLJSOHNX-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.11
Rot. Bonds7

About N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide

N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide (PubChem CID 136512530) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide
PubChem CID136512530
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC NameN-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)NC2CCN(CCOC)C2)c1
InChIInChI=1S/C13H21N3O4S2/c1-14-22(18,19)11-7-12(21-9-11)13(17)15-10-3-4-16(8-10)5-6-20-2/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyICMPIAYLJSOHNX-UHFFFAOYSA-N
XLogP0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)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-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide (CID 136512530) is N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide is CNS(=O)(=O)c1csc(C(=O)NC2CCN(CCOC)C2)c1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is ICMPIAYLJSOHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-14-22(18,19)11-7-12(21-9-11)13(17)15-10-3-4-16(8-10)5-6-20-2/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide?
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 136512530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).