4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

C24H23N3O2S — CID 19505478

IUPAC4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(OCc2csc(C(=O)Nc3cccc(Cn4cccn4)c3)c2)c1
InChIInChI=1S/C24H23N3O2S/c1-17-9-18(2)11-22(10-17)29-15-20-13-23(30-16-20)24(28)26-21-6-3-5-19(12-21)14-27-8-4-7-25-27/h3-13,16H,14-15H2,1-2H3,(H,26,28)
InChIKeyIZMCTBAGTYQRIP-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.44
Rot. Bonds7

About 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19505478) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID19505478
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(OCc2csc(C(=O)Nc3cccc(Cn4cccn4)c3)c2)c1
InChIInChI=1S/C24H23N3O2S/c1-17-9-18(2)11-22(10-17)29-15-20-13-23(30-16-20)24(28)26-21-6-3-5-19(12-21)14-27-8-4-7-25-27/h3-13,16H,14-15H2,1-2H3,(H,26,28)
InChIKeyIZMCTBAGTYQRIP-UHFFFAOYSA-N
XLogP5.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
N-(1-benzylpyrazol-4-yl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505434
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39696626
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471916
N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501220
N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505356
4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505471
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490888
4-[(3,5-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19505520

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (CID 19505478) is 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is Cc1cc(C)cc(OCc2csc(C(=O)Nc3cccc(Cn4cccn4)c3)c2)c1.
What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is IZMCTBAGTYQRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-17-9-18(2)11-22(10-17)29-15-20-13-23(30-16-20)24(28)26-21-6-3-5-19(12-21)14-27-8-4-7-25-27/h3-13,16H,14-15H2,1-2H3,(H,26,28).
What are the key properties of 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19505478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).