2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide

C17H24N4O2S — CID 28642396

IUPAC2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cnn(C)c2)c(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C17H24N4O2S/c1-11-7-13(14(24-11)19-16(23)17(2,3)4)15(22)20(5)9-12-8-18-21(6)10-12/h7-8,10H,9H2,1-6H3,(H,19,23)
InChIKeyJIPYOUGJMFYFDW-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.05
Rot. Bonds4

About 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide

2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 28642396) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
PubChem CID28642396
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cnn(C)c2)c(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C17H24N4O2S/c1-11-7-13(14(24-11)19-16(23)17(2,3)4)15(22)20(5)9-12-8-18-21(6)10-12/h7-8,10H,9H2,1-6H3,(H,19,23)
InChIKeyJIPYOUGJMFYFDW-UHFFFAOYSA-N
XLogP3.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide (CID 28642396) is 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide is Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(NC(=O)C(C)(C)C)s1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is JIPYOUGJMFYFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11-7-13(14(24-11)19-16(23)17(2,3)4)15(22)20(5)9-12-8-18-21(6)10-12/h7-8,10H,9H2,1-6H3,(H,19,23).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 28642396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).