N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide

C19H24N2O2S — CID 86278018

IUPACN-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide
SMILESO=C(CNC(=O)c1ccccc1S)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)
InChIKeyXDQOSIXIPHKGDJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide

N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide (PubChem CID 86278018) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide
PubChem CID86278018
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide
SMILESO=C(CNC(=O)c1ccccc1S)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)
InChIKeyXDQOSIXIPHKGDJ-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-adamantyl)-2-(benzhydrylamino)acetamide
CID 7971178
N-(1-bicyclo[2.2.1]heptanyl)-2-sulfanylbenzamide
CID 90825858
[2-(1-adamantylamino)-2-oxoethyl] 2-benzamidoacetate
CID 4802592
N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 46557706
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(2S)-2-phenylpropyl]benzamide
CID 41113839
N,N'-bis(1-adamantyl)-2-sulfanyl-N'-(2-sulfanylbenzoyl)benzohydrazide
CID 11786460
N-(1-adamantyl)-2-(trifluoromethyl)benzamide
CID 3118948
N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
CID 107035039
N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 3108558
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365297
N-(1-adamantyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 4039079
[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium
CID 7971177

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide?
The IUPAC name of N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide (CID 86278018) is N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide is O=C(CNC(=O)c1ccccc1S)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide?
The InChIKey is XDQOSIXIPHKGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide?
N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide has a molecular weight of 344.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantylamino)-2-oxoethyl]-2-sulfanylbenzamide is sourced from PubChem (CID 86278018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).