4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

C20H22ClN3O2S — CID 19483446

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(OCc2csc(C(=O)NC(C)c3cnn(C)c3C)c2)ccc1Cl
InChIInChI=1S/C20H22ClN3O2S/c1-12-7-16(5-6-18(12)21)26-10-15-8-19(27-11-15)20(25)23-13(2)17-9-22-24(4)14(17)3/h5-9,11,13H,10H2,1-4H3,(H,23,25)
InChIKeyJFSHYIFRBOUVEZ-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.82
Rot. Bonds6

About 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 19483446) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID19483446
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(OCc2csc(C(=O)NC(C)c3cnn(C)c3C)c2)ccc1Cl
InChIInChI=1S/C20H22ClN3O2S/c1-12-7-16(5-6-18(12)21)26-10-15-8-19(27-11-15)20(25)23-13(2)17-9-22-24(4)14(17)3/h5-9,11,13H,10H2,1-4H3,(H,23,25)
InChIKeyJFSHYIFRBOUVEZ-UHFFFAOYSA-N
XLogP4.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]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-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19483323
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484764
5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19417098
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501251
4-[(4-chloro-3-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19483426
4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 19483266
4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 19469767
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471501
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483292
4-[(3-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 19505193
4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19483311
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (CID 19483446) is 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is Cc1cc(OCc2csc(C(=O)NC(C)c3cnn(C)c3C)c2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JFSHYIFRBOUVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-12-7-16(5-6-18(12)21)26-10-15-8-19(27-11-15)20(25)23-13(2)17-9-22-24(4)14(17)3/h5-9,11,13H,10H2,1-4H3,(H,23,25).
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 403.94 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 19483446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).