N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide

C24H29NO2S — CID 19483510

IUPACN-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C)c1
InChIInChI=1S/C24H29NO2S/c1-15-3-4-21(16(2)5-15)27-13-20-9-22(28-14-20)23(26)25-24-10-17-6-18(11-24)8-19(7-17)12-24/h3-5,9,14,17-19H,6-8,10-13H2,1-2H3,(H,25,26)
InChIKeyYVZFUUNLTNQRAY-UHFFFAOYSA-N
MW395.57 g/mol
LogP5.64
Rot. Bonds5

About N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide

N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19483510) has the molecular formula C24H29NO2S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19483510
Molecular FormulaC24H29NO2S
Molecular Weight395.57 g/mol
Exact Mass395.19
IUPAC NameN-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C)c1
InChIInChI=1S/C24H29NO2S/c1-15-3-4-21(16(2)5-15)27-13-20-9-22(28-14-20)23(26)25-24-10-17-6-18(11-24)8-19(7-17)12-24/h3-5,9,14,17-19H,6-8,10-13H2,1-2H3,(H,25,26)
InChIKeyYVZFUUNLTNQRAY-UHFFFAOYSA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469636
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19483513
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19483492
4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19483664
4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 19486728
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

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19483510) is N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1ccc(OCc2csc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C)c1.
What is the InChIKey of N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is YVZFUUNLTNQRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2S/c1-15-3-4-21(16(2)5-15)27-13-20-9-22(28-14-20)23(26)25-24-10-17-6-18(11-24)8-19(7-17)12-24/h3-5,9,14,17-19H,6-8,10-13H2,1-2H3,(H,25,26).
What are the key properties of N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide?
N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19483510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).