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

C19H20ClN3O2S — CID 19486841

IUPAC4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCn1nc(NC(=O)c2cc(COc3ccc(Cl)cc3C)cs2)cc1C
InChIInChI=1S/C19H20ClN3O2S/c1-4-23-13(3)8-18(22-23)21-19(24)17-9-14(11-26-17)10-25-16-6-5-15(20)7-12(16)2/h5-9,11H,4,10H2,1-3H3,(H,21,22,24)
InChIKeyULTHIFMRIUUOMC-UHFFFAOYSA-N
MW389.91 g/mol
LogP5.07
Rot. Bonds6

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

4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 19486841) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID19486841
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCn1nc(NC(=O)c2cc(COc3ccc(Cl)cc3C)cs2)cc1C
InChIInChI=1S/C19H20ClN3O2S/c1-4-23-13(3)8-18(22-23)21-19(24)17-9-14(11-26-17)10-25-16-6-5-15(20)7-12(16)2/h5-9,11H,4,10H2,1-3H3,(H,21,22,24)
InChIKeyULTHIFMRIUUOMC-UHFFFAOYSA-N
XLogP5.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.91
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 19486813
4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19483724
4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19486726
4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19486686
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483502
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19486745
N-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505338
4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19483664
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490760
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483503
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501357

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 19486841) is 4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide is CCn1nc(NC(=O)c2cc(COc3ccc(Cl)cc3C)cs2)cc1C.
What is the InChIKey of 4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is ULTHIFMRIUUOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-4-23-13(3)8-18(22-23)21-19(24)17-9-14(11-26-17)10-25-16-6-5-15(20)7-12(16)2/h5-9,11H,4,10H2,1-3H3,(H,21,22,24).
What are the key properties of 4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide?
4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 389.91 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19486841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).