4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide

C19H21N3O2S — CID 19488732

IUPAC4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(COc3c(C)cccc3C)cs2)n(C)n1
InChIInChI=1S/C19H21N3O2S/c1-12-6-5-7-13(2)18(12)24-10-15-9-16(25-11-15)19(23)20-17-8-14(3)21-22(17)4/h5-9,11H,10H2,1-4H3,(H,20,23)
InChIKeyHTJCUHLYCYKYHV-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.24
Rot. Bonds5

About 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide

4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 19488732) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID19488732
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(COc3c(C)cccc3C)cs2)n(C)n1
InChIInChI=1S/C19H21N3O2S/c1-12-6-5-7-13(2)18(12)24-10-15-9-16(25-11-15)19(23)20-17-8-14(3)21-22(17)4/h5-9,11H,10H2,1-4H3,(H,20,23)
InChIKeyHTJCUHLYCYKYHV-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19502995
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide
CID 19488699
4-[(2,3-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19495414
4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 19486926
4-[(2,6-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 19486917
4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 19488696
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 19488742
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19469358
4-[(2,6-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19488686
N-(2-chloro-5-nitrophenyl)-4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19488613

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide (CID 19488732) is 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(COc3c(C)cccc3C)cs2)n(C)n1.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is HTJCUHLYCYKYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-6-5-7-13(2)18(12)24-10-15-9-16(25-11-15)19(23)20-17-8-14(3)21-22(17)4/h5-9,11H,10H2,1-4H3,(H,20,23).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide?
4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19488732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).