N-(2-adamantyl)thiophene-2-carboxamide

C15H19NOS — CID 875243

IUPACN-(2-adamantyl)thiophene-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cccs1
InChIInChI=1S/C15H19NOS/c17-15(13-2-1-3-18-13)16-14-11-5-9-4-10(7-11)8-12(14)6-9/h1-3,9-12,14H,4-8H2,(H,16,17)
InChIKeyWJJPCYLHCIPZRD-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.30
Rot. Bonds2

About N-(2-adamantyl)thiophene-2-carboxamide

N-(2-adamantyl)thiophene-2-carboxamide (PubChem CID 875243) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(2-adamantyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)thiophene-2-carboxamide
PubChem CID875243
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-(2-adamantyl)thiophene-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cccs1
InChIInChI=1S/C15H19NOS/c17-15(13-2-1-3-18-13)16-14-11-5-9-4-10(7-11)8-12(14)6-9/h1-3,9-12,14H,4-8H2,(H,16,17)
InChIKeyWJJPCYLHCIPZRD-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843061
N-(2-adamantyl)thiophene-3-carboxamide
CID 24555583
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616
N-(2-adamantyl)-2-aminobenzamide
CID 61214981
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392
(2S)-2-(1-adamantyl)-2-(thiophene-2-carbonylamino)acetic acid
CID 7065356
[4-(2-adamantyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 764441
N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301056
N-(2-adamantyl)-3-bromobenzamide
CID 771513
N-(9H-fluoren-9-yl)thiophene-2-carboxamide
CID 712601
N-sulfanylthiophene-2-carboxamide
CID 87476143

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-adamantyl)thiophene-2-carboxamide (CID 875243) is N-(2-adamantyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)thiophene-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cccs1.
What is the InChIKey of N-(2-adamantyl)thiophene-2-carboxamide?
The InChIKey is WJJPCYLHCIPZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c17-15(13-2-1-3-18-13)16-14-11-5-9-4-10(7-11)8-12(14)6-9/h1-3,9-12,14H,4-8H2,(H,16,17).
What are the key properties of N-(2-adamantyl)thiophene-2-carboxamide?
N-(2-adamantyl)thiophene-2-carboxamide has a molecular weight of 261.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)thiophene-2-carboxamide is sourced from PubChem (CID 875243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).