5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide

C11H14N4O3S2 — CID 131890342

IUPAC5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide
SMILESCc1[nH]ncc1CN(C)S(=O)(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C11H14N4O3S2/c1-7-9(4-13-14-7)5-15(2)20(17,18)10-3-8(6-19-10)11(12)16/h3-4,6H,5H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyUCRMNBPEVWXZNP-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.70
Rot. Bonds5

About 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide

5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide (PubChem CID 131890342) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide
PubChem CID131890342
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide
SMILESCc1[nH]ncc1CN(C)S(=O)(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C11H14N4O3S2/c1-7-9(4-13-14-7)5-15(2)20(17,18)10-3-8(6-19-10)11(12)16/h3-4,6H,5H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyUCRMNBPEVWXZNP-UHFFFAOYSA-N
XLogP0.70
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide?
The IUPAC name of 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide (CID 131890342) is 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide is Cc1[nH]ncc1CN(C)S(=O)(=O)c1cc(C(N)=O)cs1.
What is the InChIKey of 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide?
The InChIKey is UCRMNBPEVWXZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c1-7-9(4-13-14-7)5-15(2)20(17,18)10-3-8(6-19-10)11(12)16/h3-4,6H,5H2,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide?
5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide is sourced from PubChem (CID 131890342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).