N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide

C24H29NO2S — CID 19495267

IUPACN-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)NC3C4CC5CC(C4)CC3C5)c2)c1C
InChIInChI=1S/C24H29NO2S/c1-14-4-3-5-21(15(14)2)27-12-18-11-22(28-13-18)24(26)25-23-19-7-16-6-17(9-19)10-20(23)8-16/h3-5,11,13,16-17,19-20,23H,6-10,12H2,1-2H3,(H,25,26)
InChIKeyDTMXDGBTWHQFQV-UHFFFAOYSA-N
MW395.57 g/mol
LogP5.50
Rot. Bonds5

About N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide

N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19495267) has the molecular formula C24H29NO2S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19495267
Molecular FormulaC24H29NO2S
Molecular Weight395.57 g/mol
Exact Mass395.19
IUPAC NameN-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)NC3C4CC5CC(C4)CC3C5)c2)c1C
InChIInChI=1S/C24H29NO2S/c1-14-4-3-5-21(15(14)2)27-12-18-11-22(28-13-18)24(26)25-23-19-7-16-6-17(9-19)10-20(23)8-16/h3-5,11,13,16-17,19-20,23H,6-10,12H2,1-2H3,(H,25,26)
InChIKeyDTMXDGBTWHQFQV-UHFFFAOYSA-N
XLogP5.50
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 ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498990
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19495261
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498856
4-[(2,3-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19495414
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495311
N-(1-benzylpyrazol-4-yl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495262
N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483510
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
CID 19471602

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19495267) is N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1cccc(OCc2csc(C(=O)NC3C4CC5CC(C4)CC3C5)c2)c1C.
What is the InChIKey of N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is DTMXDGBTWHQFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2S/c1-14-4-3-5-21(15(14)2)27-12-18-11-22(28-13-18)24(26)25-23-19-7-16-6-17(9-19)10-20(23)8-16/h3-5,11,13,16-17,19-20,23H,6-10,12H2,1-2H3,(H,25,26).
What are the key properties of N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide?
N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19495267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).