N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

C24H27NO3S — CID 19501186

IUPACN-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)cc1
InChIInChI=1S/C24H27NO3S/c1-15-10-16(2)23(17(3)11-15)28-13-19-12-22(29-14-19)24(26)25-18(4)20-6-8-21(27-5)9-7-20/h6-12,14,18H,13H2,1-5H3,(H,25,26)
InChIKeyBHOVQAGHTYNCHB-UHFFFAOYSA-N
MW409.55 g/mol
LogP5.75
Rot. Bonds7

About N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19501186) has the molecular formula C24H27NO3S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19501186
Molecular FormulaC24H27NO3S
Molecular Weight409.55 g/mol
Exact Mass409.17
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)cc1
InChIInChI=1S/C24H27NO3S/c1-15-10-16(2)23(17(3)11-15)28-13-19-12-22(29-14-19)24(26)25-18(4)20-6-8-21(27-5)9-7-20/h6-12,14,18H,13H2,1-5H3,(H,25,26)
InChIKeyBHOVQAGHTYNCHB-UHFFFAOYSA-N
XLogP5.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 19486463
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501251
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471501
4-[(3-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 19505193
N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501205
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19484847
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493248
4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 19471659
N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484576
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19501186) is N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is COc1ccc(C(C)NC(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is BHOVQAGHTYNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3S/c1-15-10-16(2)23(17(3)11-15)28-13-19-12-22(29-14-19)24(26)25-18(4)20-6-8-21(27-5)9-7-20/h6-12,14,18H,13H2,1-5H3,(H,25,26).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19501186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).