N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

C26H27NO2S — CID 19498990

IUPACN-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H27NO2S/c28-26(27-25-21-8-16-7-17(10-21)11-22(25)9-16)24-12-18(15-30-24)14-29-23-6-5-19-3-1-2-4-20(19)13-23/h1-6,12-13,15-17,21-22,25H,7-11,14H2,(H,27,28)
InChIKeyCWOBFYPOFLIEBH-UHFFFAOYSA-N
MW417.57 g/mol
LogP6.03
Rot. Bonds5

About N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19498990) has the molecular formula C26H27NO2S and a molecular weight of 417.57 g/mol. Its IUPAC name is N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
PubChem CID19498990
Molecular FormulaC26H27NO2S
Molecular Weight417.57 g/mol
Exact Mass417.18
IUPAC NameN-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H27NO2S/c28-26(27-25-21-8-16-7-17(10-21)11-22(25)9-16)24-12-18(15-30-24)14-29-23-6-5-19-3-1-2-4-20(19)13-23/h1-6,12-13,15-17,21-22,25H,7-11,14H2,(H,27,28)
InChIKeyCWOBFYPOFLIEBH-UHFFFAOYSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.57
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495267
N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498980
4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19498923
N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499079
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
CID 19503287
N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498978
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498924
N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499067
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499068
4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
CID 19503355

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (CID 19498990) is N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cc(COc2ccc3ccccc3c2)cs1.
What is the InChIKey of N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The InChIKey is CWOBFYPOFLIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2S/c28-26(27-25-21-8-16-7-17(10-21)11-22(25)9-16)24-12-18(15-30-24)14-29-23-6-5-19-3-1-2-4-20(19)13-23/h1-6,12-13,15-17,21-22,25H,7-11,14H2,(H,27,28).
What are the key properties of N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 417.57 g/mol, XLogP of 6.03, 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-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19498990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).