3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

C20H24N4O3S2 — CID 86876091

IUPAC3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H24N4O3S2/c1-13-5-7-16(8-6-13)23-29(26,27)18-10-12-28-19(18)20(25)21-11-9-17-14(2)22-24(4)15(17)3/h5-8,10,12,23H,9,11H2,1-4H3,(H,21,25)
InChIKeyXHUIHBGVPBQAEP-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.18
Rot. Bonds7

About 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 86876091) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID86876091
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H24N4O3S2/c1-13-5-7-16(8-6-13)23-29(26,27)18-10-12-28-19(18)20(25)21-11-9-17-14(2)22-24(4)15(17)3/h5-8,10,12,23H,9,11H2,1-4H3,(H,21,25)
InChIKeyXHUIHBGVPBQAEP-UHFFFAOYSA-N
XLogP3.18
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (CID 86876091) is 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is XHUIHBGVPBQAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-13-5-7-16(8-6-13)23-29(26,27)18-10-12-28-19(18)20(25)21-11-9-17-14(2)22-24(4)15(17)3/h5-8,10,12,23H,9,11H2,1-4H3,(H,21,25).
What are the key properties of 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 86876091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).