N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride

C17H24ClN2OS- — CID 53350955

IUPACN-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
SMILESO=C(CNCc1cccs1)NC12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C17H24N2OS.ClH/c20-16(11-18-10-15-2-1-3-21-15)19-17-7-12-4-13(8-17)6-14(5-12)9-17;/h1-3,12-14,18H,4-11H2,(H,19,20);1H/p-1
InChIKeyVEOGDNMKXREGLY-UHFFFAOYSA-M
MW339.91 g/mol
LogP-0.07
Rot. Bonds5

About N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride

N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride (PubChem CID 53350955) has the molecular formula C17H24ClN2OS- and a molecular weight of 339.91 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
PubChem CID53350955
Molecular FormulaC17H24ClN2OS-
Molecular Weight339.91 g/mol
Exact Mass339.13
IUPAC NameN-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
SMILESO=C(CNCc1cccs1)NC12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C17H24N2OS.ClH/c20-16(11-18-10-15-2-1-3-21-15)19-17-7-12-4-13(8-17)6-14(5-12)9-17;/h1-3,12-14,18H,4-11H2,(H,19,20);1H/p-1
InChIKeyVEOGDNMKXREGLY-UHFFFAOYSA-M
XLogP-0.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
2-[4-(1-adamantylcarbamoylamino)phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 121126857
N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
CID 55027346
1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea
CID 71031668
3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 6624810
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
N-(1-adamantyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55381187
N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide
CID 2869572
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506174
N-(1-adamantyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86839728
N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242501
N-(1-adamantyl)-2-(benzhydrylamino)acetamide
CID 7971178

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride?
The IUPAC name of N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride (CID 53350955) is N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride.
What is the SMILES notation for N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride?
The canonical SMILES for N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride is O=C(CNCc1cccs1)NC12CC3CC(CC(C3)C1)C2.[Cl-].
What is the InChIKey of N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride?
The InChIKey is VEOGDNMKXREGLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H24N2OS.ClH/c20-16(11-18-10-15-2-1-3-21-15)19-17-7-12-4-13(8-17)6-14(5-12)9-17;/h1-3,12-14,18H,4-11H2,(H,19,20);1H/p-1.
What are the key properties of N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride?
N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride has a molecular weight of 339.91 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride is sourced from PubChem (CID 53350955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).