N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide

C20H23N3O2S — CID 19491225

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc(COc2cccc(C)c2)cs1
InChIInChI=1S/C20H23N3O2S/c1-4-23-17(8-9-21-23)12-22(3)20(24)19-11-16(14-26-19)13-25-18-7-5-6-15(2)10-18/h5-11,14H,4,12-13H2,1-3H3
InChIKeyZSVZBGDCIGMQHL-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.12
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19491225) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19491225
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc(COc2cccc(C)c2)cs1
InChIInChI=1S/C20H23N3O2S/c1-4-23-17(8-9-21-23)12-22(3)20(24)19-11-16(14-26-19)13-25-18-7-5-6-15(2)10-18/h5-11,14H,4,12-13H2,1-3H3
InChIKeyZSVZBGDCIGMQHL-UHFFFAOYSA-N
XLogP4.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471966
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491233
4-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 19483667
3-[(3-bromophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454293
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499092
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454365
3-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454276
4-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471628
N-butyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491241
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 19454355
4-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19444409

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19491225) is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide is CCn1nccc1CN(C)C(=O)c1cc(COc2cccc(C)c2)cs1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is ZSVZBGDCIGMQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-4-23-17(8-9-21-23)12-22(3)20(24)19-11-16(14-26-19)13-25-18-7-5-6-15(2)10-18/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19491225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).