N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide

C21H24N4O2S — CID 3216056

IUPACN-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C21H24N4O2S/c1-4-21(2,3)23-19(26)18(17-11-8-14-28-17)25(15-9-6-5-7-10-15)20(27)16-12-13-22-24-16/h5-14,18H,4H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyHKPUAKNXKQYMRR-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.16
Rot. Bonds7

About N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide

N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 3216056) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID3216056
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C21H24N4O2S/c1-4-21(2,3)23-19(26)18(17-11-8-14-28-17)25(15-9-6-5-7-10-15)20(27)16-12-13-22-24-16/h5-14,18H,4H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyHKPUAKNXKQYMRR-UHFFFAOYSA-N
XLogP4.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide (CID 3216056) is N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide is CCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is HKPUAKNXKQYMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-4-21(2,3)23-19(26)18(17-11-8-14-28-17)25(15-9-6-5-7-10-15)20(27)16-12-13-22-24-16/h5-14,18H,4H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide?
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3216056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).