5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide

C13H18N4O3S2 — CID 131920454

IUPAC5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide
SMILESCCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C13H18N4O3S2/c1-3-16-7-10(6-15-16)8-17(4-2)22(19,20)12-5-11(9-21-12)13(14)18/h5-7,9H,3-4,8H2,1-2H3,(H2,14,18)
InChIKeyAEAWGRFPXJYKTA-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.27
Rot. Bonds7

About 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide

5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide (PubChem CID 131920454) has the molecular formula C13H18N4O3S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide
PubChem CID131920454
Molecular FormulaC13H18N4O3S2
Molecular Weight342.45 g/mol
Exact Mass342.08
IUPAC Name5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide
SMILESCCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C13H18N4O3S2/c1-3-16-7-10(6-15-16)8-17(4-2)22(19,20)12-5-11(9-21-12)13(14)18/h5-7,9H,3-4,8H2,1-2H3,(H2,14,18)
InChIKeyAEAWGRFPXJYKTA-UHFFFAOYSA-N
XLogP1.27
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 60681316
5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 131934877
5-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide
CID 131890342
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899
5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79477660
N-[1-[5-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47083099
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 99788498
[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 46957495

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide?
The IUPAC name of 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide (CID 131920454) is 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide is CCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(C(N)=O)cs1.
What is the InChIKey of 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide?
The InChIKey is AEAWGRFPXJYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S2/c1-3-16-7-10(6-15-16)8-17(4-2)22(19,20)12-5-11(9-21-12)13(14)18/h5-7,9H,3-4,8H2,1-2H3,(H2,14,18).
What are the key properties of 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide?
5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[(1-ethylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxamide is sourced from PubChem (CID 131920454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).