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

C21H25N3O2S — CID 19469358

IUPAC4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)c1cc(COc2ccc(C)c(C)c2)cs1
InChIInChI=1S/C21H25N3O2S/c1-5-8-24-20(10-16(4)23-24)22-21(25)19-11-17(13-27-19)12-26-18-7-6-14(2)15(3)9-18/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,22,25)
InChIKeyRBZUDBOHRUDNGX-UHFFFAOYSA-N
MW383.52 g/mol
LogP5.11
Rot. Bonds7

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

4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 19469358) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID19469358
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)c1cc(COc2ccc(C)c(C)c2)cs1
InChIInChI=1S/C21H25N3O2S/c1-5-8-24-20(10-16(4)23-24)22-21(25)19-11-17(13-27-19)12-26-18-7-6-14(2)15(3)9-18/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,22,25)
InChIKeyRBZUDBOHRUDNGX-UHFFFAOYSA-N
XLogP5.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,3-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19495414
N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19502995
4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 19488732
4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 19469603
4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide
CID 19471879
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19483724
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471916
4-[(3,4-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471966
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483292
4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 19493010
N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499079

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide (CID 19469358) is 4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide is CCCn1nc(C)cc1NC(=O)c1cc(COc2ccc(C)c(C)c2)cs1.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is RBZUDBOHRUDNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-5-8-24-20(10-16(4)23-24)22-21(25)19-11-17(13-27-19)12-26-18-7-6-14(2)15(3)9-18/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,22,25).
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide?
4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19469358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).