4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide

C19H21N3O2S — CID 19471766

IUPAC4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(COc3cc(C)ccc3C)cs2)cn1
InChIInChI=1S/C19H21N3O2S/c1-4-22-10-16(9-20-22)21-19(23)18-8-15(12-25-18)11-24-17-7-13(2)5-6-14(17)3/h5-10,12H,4,11H2,1-3H3,(H,21,23)
InChIKeyKYUWWNHOEJTRAD-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.41
Rot. Bonds6

About 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide

4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 19471766) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID19471766
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(COc3cc(C)ccc3C)cs2)cn1
InChIInChI=1S/C19H21N3O2S/c1-4-22-10-16(9-20-22)21-19(23)18-8-15(12-25-18)11-24-17-7-13(2)5-6-14(17)3/h5-10,12H,4,11H2,1-3H3,(H,21,23)
InChIKeyKYUWWNHOEJTRAD-UHFFFAOYSA-N
XLogP4.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471631
4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19471638
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471777
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471721
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483503
4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19488786
N-butyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471741
4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19471754
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
CID 19471602
N-(1-benzylpyrazol-4-yl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495262
4-[(2-chloro-5-methylphenoxy)methyl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19488940
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503362

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide (CID 19471766) is 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide is CCn1cc(NC(=O)c2cc(COc3cc(C)ccc3C)cs2)cn1.
What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is KYUWWNHOEJTRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-22-10-16(9-20-22)21-19(23)18-8-15(12-25-18)11-24-17-7-13(2)5-6-14(17)3/h5-10,12H,4,11H2,1-3H3,(H,21,23).
What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide?
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19471766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).