2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide

C16H22N4O2S — CID 46999137

IUPAC2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccn[nH]2)c(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C16H22N4O2S/c1-10-8-12(13(23-10)18-15(22)16(2,3)4)14(21)20(5)9-11-6-7-17-19-11/h6-8H,9H2,1-5H3,(H,17,19)(H,18,22)
InChIKeyCAZYSUYBAVUJDL-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.04
Rot. Bonds4

About 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide

2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide (PubChem CID 46999137) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
PubChem CID46999137
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccn[nH]2)c(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C16H22N4O2S/c1-10-8-12(13(23-10)18-15(22)16(2,3)4)14(21)20(5)9-11-6-7-17-19-11/h6-8H,9H2,1-5H3,(H,17,19)(H,18,22)
InChIKeyCAZYSUYBAVUJDL-UHFFFAOYSA-N
XLogP3.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide (CID 46999137) is 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccn[nH]2)c(NC(=O)C(C)(C)C)s1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide?
The InChIKey is CAZYSUYBAVUJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-10-8-12(13(23-10)18-15(22)16(2,3)4)14(21)20(5)9-11-6-7-17-19-11/h6-8H,9H2,1-5H3,(H,17,19)(H,18,22).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide?
2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 46999137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).