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

C21H25N3O2S — CID 19471788

IUPAC4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)NC(C)Cn3ccc(C)n3)c2)c1
InChIInChI=1S/C21H25N3O2S/c1-14-5-6-15(2)19(9-14)26-12-18-10-20(27-13-18)21(25)22-17(4)11-24-8-7-16(3)23-24/h5-10,13,17H,11-12H2,1-4H3,(H,22,25)
InChIKeyZNYDUVICYCXROV-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.27
Rot. Bonds7

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

4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 19471788) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID19471788
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)NC(C)Cn3ccc(C)n3)c2)c1
InChIInChI=1S/C21H25N3O2S/c1-14-5-6-15(2)19(9-14)26-12-18-10-20(27-13-18)21(25)22-17(4)11-24-8-7-16(3)23-24/h5-10,13,17H,11-12H2,1-4H3,(H,22,25)
InChIKeyZNYDUVICYCXROV-UHFFFAOYSA-N
XLogP4.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 19471659
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490795
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
CID 19471602
N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
N-butyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471741
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471766
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 19488742
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471721
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19471754
N-(3,5-dichloro-2-pyridinyl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471583
4-[(2,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19471645

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide (CID 19471788) is 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide is Cc1ccc(C)c(OCc2csc(C(=O)NC(C)Cn3ccc(C)n3)c2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is ZNYDUVICYCXROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14-5-6-15(2)19(9-14)26-12-18-10-20(27-13-18)21(25)22-17(4)11-24-8-7-16(3)23-24/h5-10,13,17H,11-12H2,1-4H3,(H,22,25).
What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide?
4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.27, 7 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-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19471788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).