N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C17H19N3O4S2 — CID 4878462

IUPACN-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C17H19N3O4S2/c18-26(23,24)13-7-5-12(6-8-13)11-19-16(21)14-3-1-9-20(14)17(22)15-4-2-10-25-15/h2,4-8,10,14H,1,3,9,11H2,(H,19,21)(H2,18,23,24)
InChIKeyHGBYLXBFFYGQFQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.32
Rot. Bonds5

About N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 4878462) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID4878462
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C17H19N3O4S2/c18-26(23,24)13-7-5-12(6-8-13)11-19-16(21)14-3-1-9-20(14)17(22)15-4-2-10-25-15/h2,4-8,10,14H,1,3,9,11H2,(H,19,21)(H2,18,23,24)
InChIKeyHGBYLXBFFYGQFQ-UHFFFAOYSA-N
XLogP1.32
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 4878462) is N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2CCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HGBYLXBFFYGQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c18-26(23,24)13-7-5-12(6-8-13)11-19-16(21)14-3-1-9-20(14)17(22)15-4-2-10-25-15/h2,4-8,10,14H,1,3,9,11H2,(H,19,21)(H2,18,23,24).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4878462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).