4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide

C17H16ClN3O2S — CID 19503232

IUPAC4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCn1cccn1)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C17H16ClN3O2S/c18-14-4-1-2-5-15(14)23-11-13-10-16(24-12-13)17(22)19-7-9-21-8-3-6-20-21/h1-6,8,10,12H,7,9,11H2,(H,19,22)
InChIKeyHRPYJINKYQJINE-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.61
Rot. Bonds7

About 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide

4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide (PubChem CID 19503232) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
PubChem CID19503232
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCn1cccn1)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C17H16ClN3O2S/c18-14-4-1-2-5-15(14)23-11-13-10-16(24-12-13)17(22)19-7-9-21-8-3-6-20-21/h1-6,8,10,12H,7,9,11H2,(H,19,22)
InChIKeyHRPYJINKYQJINE-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503188
4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 19503185
4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 19503099
4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19503134
4-[(2-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503171
4-[(2-chlorophenoxy)methyl]-N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503218
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 19503006
4-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503147
4-[(2-chlorophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19503120
N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503027
4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide
CID 19484731

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide (CID 19503232) is 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide is O=C(NCCn1cccn1)c1cc(COc2ccccc2Cl)cs1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is HRPYJINKYQJINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c18-14-4-1-2-5-15(14)23-11-13-10-16(24-12-13)17(22)19-7-9-21-8-3-6-20-21/h1-6,8,10,12H,7,9,11H2,(H,19,22).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide?
4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 361.85 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19503232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).