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

C20H23N3O2S — CID 19483664

IUPAC4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(COc3ccc(C)cc3C)cs2)c1C
InChIInChI=1S/C20H23N3O2S/c1-5-23-15(4)17(10-21-23)22-20(24)19-9-16(12-26-19)11-25-18-7-6-13(2)8-14(18)3/h6-10,12H,5,11H2,1-4H3,(H,22,24)
InChIKeyUUMJJGPJJXJGEF-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.72
Rot. Bonds6

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

4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 19483664) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID19483664
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(COc3ccc(C)cc3C)cs2)c1C
InChIInChI=1S/C20H23N3O2S/c1-5-23-15(4)17(10-21-23)22-20(24)19-9-16(12-26-19)11-25-18-7-6-13(2)8-14(18)3/h6-10,12H,5,11H2,1-4H3,(H,22,24)
InChIKeyUUMJJGPJJXJGEF-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471721
N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19497119
N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499079
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19483724
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483503
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471766
4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 19486841
4-[[3-[(2,4-dimethylphenoxy)methyl]benzoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339733
N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498820

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide (CID 19483664) is 4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide is CCn1ncc(NC(=O)c2cc(COc3ccc(C)cc3C)cs2)c1C.
What is the InChIKey of 4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is UUMJJGPJJXJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-5-23-15(4)17(10-21-23)22-20(24)19-9-16(12-26-19)11-25-18-7-6-13(2)8-14(18)3/h6-10,12H,5,11H2,1-4H3,(H,22,24).
What are the key properties of 4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide?
4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19483664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).