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

C20H18ClNO2S — CID 19505101

IUPAC4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(COc3cccc(Cl)c3)cs2)c1C
InChIInChI=1S/C20H18ClNO2S/c1-13-5-3-8-18(14(13)2)22-20(23)19-9-15(12-25-19)11-24-17-7-4-6-16(21)10-17/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyQKSMAYPTICFQEI-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.85
Rot. Bonds5

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

4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 19505101) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
PubChem CID19505101
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC Name4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(COc3cccc(Cl)c3)cs2)c1C
InChIInChI=1S/C20H18ClNO2S/c1-13-5-3-8-18(14(13)2)22-20(23)19-9-15(12-25-19)11-24-17-7-4-6-16(21)10-17/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyQKSMAYPTICFQEI-UHFFFAOYSA-N
XLogP5.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505218
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 19483266
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505153
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618
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

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide (CID 19505101) is 4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide is Cc1cccc(NC(=O)c2cc(COc3cccc(Cl)c3)cs2)c1C.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is QKSMAYPTICFQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c1-13-5-3-8-18(14(13)2)22-20(23)19-9-15(12-25-19)11-24-17-7-4-6-16(21)10-17/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide?
4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.85, 5 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-(2,3-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19505101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).