N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide

C22H33NOS — CID 15505370

IUPACN-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33NOS/c24-20(23-21-7-14-1-15(8-21)3-16(2-14)9-21)13-25-22-10-17-4-18(11-22)6-19(5-17)12-22/h14-19H,1-13H2,(H,23,24)
InChIKeyHSVWVGJXQGMZPO-UHFFFAOYSA-N
MW359.58 g/mol
LogP4.77
Rot. Bonds4

About N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide

N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide (PubChem CID 15505370) has the molecular formula C22H33NOS and a molecular weight of 359.58 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide
PubChem CID15505370
Molecular FormulaC22H33NOS
Molecular Weight359.58 g/mol
Exact Mass359.23
IUPAC NameN-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33NOS/c24-20(23-21-7-14-1-15(8-21)3-16(2-14)9-21)13-25-22-10-17-4-18(11-22)6-19(5-17)12-22/h14-19H,1-13H2,(H,23,24)
InChIKeyHSVWVGJXQGMZPO-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide (CID 15505370) is N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide is O=C(CSC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide?
The InChIKey is HSVWVGJXQGMZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NOS/c24-20(23-21-7-14-1-15(8-21)3-16(2-14)9-21)13-25-22-10-17-4-18(11-22)6-19(5-17)12-22/h14-19H,1-13H2,(H,23,24).
What are the key properties of N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide?
N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide has a molecular weight of 359.58 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(1-adamantylsulfanyl)acetamide is sourced from PubChem (CID 15505370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).