4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide

C19H20ClN3O2S — CID 19503185

IUPAC4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C19H20ClN3O2S/c1-3-23-16(8-9-21-23)13(2)22-19(24)18-10-14(12-26-18)11-25-17-7-5-4-6-15(17)20/h4-10,12-13H,3,11H2,1-2H3,(H,22,24)
InChIKeySLQZPCBTMGHSTR-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.69
Rot. Bonds7

About 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide

4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 19503185) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID19503185
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C19H20ClN3O2S/c1-3-23-16(8-9-21-23)13(2)22-19(24)18-10-14(12-26-18)11-25-17-7-5-4-6-15(17)20/h4-10,12-13H,3,11H2,1-2H3,(H,22,24)
InChIKeySLQZPCBTMGHSTR-UHFFFAOYSA-N
XLogP4.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-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

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503188
4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 19503232
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415058
4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 19469767
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19415033
3-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414975
4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
N-(1-phenylethyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484709
N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503027
4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 19503099
4-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503147

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide (CID 19503185) is 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide is CCn1nccc1C(C)NC(=O)c1cc(COc2ccccc2Cl)cs1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is SLQZPCBTMGHSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-3-23-16(8-9-21-23)13(2)22-19(24)18-10-14(12-26-18)11-25-17-7-5-4-6-15(17)20/h4-10,12-13H,3,11H2,1-2H3,(H,22,24).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide?
4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 389.91 g/mol, XLogP of 4.69, 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-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 19503185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).