4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide

C23H24ClNO2S — CID 19486728

IUPAC4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(COc3ccc(Cl)cc3C)cs2)c(C)c1
InChIInChI=1S/C23H24ClNO2S/c1-14-5-7-20(15(2)9-14)17(4)25-23(26)22-11-18(13-28-22)12-27-21-8-6-19(24)10-16(21)3/h5-11,13,17H,12H2,1-4H3,(H,25,26)
InChIKeyDYDDWIKFCYFFLT-UHFFFAOYSA-N
MW413.97 g/mol
LogP6.40
Rot. Bonds6

About 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide

4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 19486728) has the molecular formula C23H24ClNO2S and a molecular weight of 413.97 g/mol. Its IUPAC name is 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID19486728
Molecular FormulaC23H24ClNO2S
Molecular Weight413.97 g/mol
Exact Mass413.12
IUPAC Name4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(COc3ccc(Cl)cc3C)cs2)c(C)c1
InChIInChI=1S/C23H24ClNO2S/c1-14-5-7-20(15(2)9-14)17(4)25-23(26)22-11-18(13-28-22)12-27-21-8-6-19(24)10-16(21)3/h5-11,13,17H,12H2,1-4H3,(H,25,26)
InChIKeyDYDDWIKFCYFFLT-UHFFFAOYSA-N
XLogP6.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.97
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471501
4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 19471659
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19486726
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483502
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483503
4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19483513
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19486745
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43876879
4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19488817

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide (CID 19486728) is 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(COc3ccc(Cl)cc3C)cs2)c(C)c1.
What is the InChIKey of 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is DYDDWIKFCYFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2S/c1-14-5-7-20(15(2)9-14)17(4)25-23(26)22-11-18(13-28-22)12-27-21-8-6-19(24)10-16(21)3/h5-11,13,17H,12H2,1-4H3,(H,25,26).
What are the key properties of 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide?
4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 413.97 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 19486728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).