5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide

C13H20N2O3S2 — CID 107421025

IUPAC5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2CCCC2C)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S2/c1-8-4-3-5-10(8)7-15-13(16)11-6-12(9(2)19-11)20(14,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyLLNNKIUZVWSCRA-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.87
Rot. Bonds4

About 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide

5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide (PubChem CID 107421025) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
PubChem CID107421025
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2CCCC2C)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S2/c1-8-4-3-5-10(8)7-15-13(16)11-6-12(9(2)19-11)20(14,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyLLNNKIUZVWSCRA-UHFFFAOYSA-N
XLogP1.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide (CID 107421025) is 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide is Cc1sc(C(=O)NCC2CCCC2C)cc1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is LLNNKIUZVWSCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-8-4-3-5-10(8)7-15-13(16)11-6-12(9(2)19-11)20(14,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide?
5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 107421025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).