4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide

C20H18ClNO2S — CID 19505218

IUPAC4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(COc2cccc(Cl)c2)cs1
InChIInChI=1S/C20H18ClNO2S/c1-2-15-6-3-4-9-18(15)22-20(23)19-10-14(13-25-19)12-24-17-8-5-7-16(21)11-17/h3-11,13H,2,12H2,1H3,(H,22,23)
InChIKeyVHQPKASQMRMVJV-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.80
Rot. Bonds6

About 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide

4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide (PubChem CID 19505218) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
PubChem CID19505218
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC Name4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(COc2cccc(Cl)c2)cs1
InChIInChI=1S/C20H18ClNO2S/c1-2-15-6-3-4-9-18(15)22-20(23)19-10-14(13-25-19)12-24-17-8-5-7-16(21)11-17/h3-11,13H,2,12H2,1H3,(H,22,23)
InChIKeyVHQPKASQMRMVJV-UHFFFAOYSA-N
XLogP5.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19505101
4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505471
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19486493
N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498796
N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505153
N-(2-chloro-4-nitrophenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505163
4-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19505150
N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500923
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
4-[(3-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 19505193
4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19505128
4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 19483266

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide (CID 19505218) is 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide is CCc1ccccc1NC(=O)c1cc(COc2cccc(Cl)c2)cs1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide?
The InChIKey is VHQPKASQMRMVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c1-2-15-6-3-4-9-18(15)22-20(23)19-10-14(13-25-19)12-24-17-8-5-7-16(21)11-17/h3-11,13H,2,12H2,1H3,(H,22,23).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide?
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19505218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).