2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide

C24H30N2O2S2 — CID 2867603

IUPAC2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide
SMILESO=C(Cc1cccs1)NCC12CC3CC(C1)CC(CNC(=O)Cc1cccs1)(C3)C2
InChIInChI=1S/C24H30N2O2S2/c27-21(8-19-3-1-5-29-19)25-15-23-10-17-7-18(11-23)13-24(12-17,14-23)16-26-22(28)9-20-4-2-6-30-20/h1-6,17-18H,7-16H2,(H,25,27)(H,26,28)
InChIKeyBCMPOXIJLNIMLI-UHFFFAOYSA-N
MW442.65 g/mol
LogP4.41
Rot. Bonds8

About 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide

2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide (PubChem CID 2867603) has the molecular formula C24H30N2O2S2 and a molecular weight of 442.65 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide
PubChem CID2867603
Molecular FormulaC24H30N2O2S2
Molecular Weight442.65 g/mol
Exact Mass442.17
IUPAC Name2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide
SMILESO=C(Cc1cccs1)NCC12CC3CC(C1)CC(CNC(=O)Cc1cccs1)(C3)C2
InChIInChI=1S/C24H30N2O2S2/c27-21(8-19-3-1-5-29-19)25-15-23-10-17-7-18(11-23)13-24(12-17,14-23)16-26-22(28)9-20-4-2-6-30-20/h1-6,17-18H,7-16H2,(H,25,27)(H,26,28)
InChIKeyBCMPOXIJLNIMLI-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide (CID 2867603) is 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide is O=C(Cc1cccs1)NCC12CC3CC(C1)CC(CNC(=O)Cc1cccs1)(C3)C2.
What is the InChIKey of 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide?
The InChIKey is BCMPOXIJLNIMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S2/c27-21(8-19-3-1-5-29-19)25-15-23-10-17-7-18(11-23)13-24(12-17,14-23)16-26-22(28)9-20-4-2-6-30-20/h1-6,17-18H,7-16H2,(H,25,27)(H,26,28).
What are the key properties of 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide?
2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide has a molecular weight of 442.65 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[[3-[[(2-thiophen-2-ylacetyl)amino]methyl]-1-adamantyl]methyl]acetamide is sourced from PubChem (CID 2867603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).