4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide

C13H20N2O3S2 — CID 79819054

IUPAC4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NCC2(C)CCCC2)csc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S2/c1-9-10(7-19-12(9)20(14,17)18)11(16)15-8-13(2)5-3-4-6-13/h7H,3-6,8H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyOULTZXDXTBSGBA-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.01
Rot. Bonds4

About 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide

4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide (PubChem CID 79819054) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
PubChem CID79819054
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NCC2(C)CCCC2)csc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S2/c1-9-10(7-19-12(9)20(14,17)18)11(16)15-8-13(2)5-3-4-6-13/h7H,3-6,8H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyOULTZXDXTBSGBA-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide (CID 79819054) is 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide is Cc1c(C(=O)NCC2(C)CCCC2)csc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is OULTZXDXTBSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-9-10(7-19-12(9)20(14,17)18)11(16)15-8-13(2)5-3-4-6-13/h7H,3-6,8H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide?
4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 79819054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).