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

C24H27NO2S — CID 19471501

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCc2csc(C(=O)NC(C)c3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C24H27NO2S/c1-5-19-7-9-21(10-8-19)27-14-20-13-23(28-15-20)24(26)25-18(4)22-11-6-16(2)12-17(22)3/h6-13,15,18H,5,14H2,1-4H3,(H,25,26)
InChIKeyFPYQBUUTJLJADU-UHFFFAOYSA-N
MW393.55 g/mol
LogP6.00
Rot. Bonds7

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

N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19471501) has the molecular formula C24H27NO2S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19471501
Molecular FormulaC24H27NO2S
Molecular Weight393.55 g/mol
Exact Mass393.18
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCc2csc(C(=O)NC(C)c3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C24H27NO2S/c1-5-19-7-9-21(10-8-19)27-14-20-13-23(28-15-20)24(26)25-18(4)22-11-6-16(2)12-17(22)3/h6-13,15,18H,5,14H2,1-4H3,(H,25,26)
InChIKeyFPYQBUUTJLJADU-UHFFFAOYSA-N
XLogP6.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.55
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 19486728
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 19471659
N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501186
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501251
4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 19483446
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19496619

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide (CID 19471501) is N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide is CCc1ccc(OCc2csc(C(=O)NC(C)c3ccc(C)cc3C)c2)cc1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is FPYQBUUTJLJADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2S/c1-5-19-7-9-21(10-8-19)27-14-20-13-23(28-15-20)24(26)25-18(4)22-11-6-16(2)12-17(22)3/h6-13,15,18H,5,14H2,1-4H3,(H,25,26).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19471501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).