4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide

C16H21N3O2S — CID 128972870

IUPAC4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C16H21N3O2S/c1-9-7-22-8-12(9)16(20)17-13-5-6-21-15(13)14-10(2)18-19(4)11(14)3/h7-8,13,15H,5-6H2,1-4H3,(H,17,20)/t13-,15-/m0/s1
InChIKeyDDIIYENNTNXSOS-ZFWWWQNUSA-N
MW319.43 g/mol
LogP2.67
Rot. Bonds3

About 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide

4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide (PubChem CID 128972870) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide
PubChem CID128972870
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C16H21N3O2S/c1-9-7-22-8-12(9)16(20)17-13-5-6-21-15(13)14-10(2)18-19(4)11(14)3/h7-8,13,15H,5-6H2,1-4H3,(H,17,20)/t13-,15-/m0/s1
InChIKeyDDIIYENNTNXSOS-ZFWWWQNUSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide (CID 128972870) is 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide is Cc1cscc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C.
What is the InChIKey of 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide?
The InChIKey is DDIIYENNTNXSOS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-9-7-22-8-12(9)16(20)17-13-5-6-21-15(13)14-10(2)18-19(4)11(14)3/h7-8,13,15H,5-6H2,1-4H3,(H,17,20)/t13-,15-/m0/s1.
What are the key properties of 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide?
4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 128972870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).