N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide

C22H24ClNOS — CID 7945317

IUPACN-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H24ClNOS/c23-18-5-1-3-17-4-2-6-19(21(17)18)26-13-20(25)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16H,7-13H2,(H,24,25)
InChIKeyTVZCJLDSOKYBIZ-UHFFFAOYSA-N
MW385.96 g/mol
LogP5.67
Rot. Bonds4

About N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide

N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide (PubChem CID 7945317) has the molecular formula C22H24ClNOS and a molecular weight of 385.96 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
PubChem CID7945317
Molecular FormulaC22H24ClNOS
Molecular Weight385.96 g/mol
Exact Mass385.13
IUPAC NameN-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H24ClNOS/c23-18-5-1-3-17-4-2-6-19(21(17)18)26-13-20(25)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16H,7-13H2,(H,24,25)
InChIKeyTVZCJLDSOKYBIZ-UHFFFAOYSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.96
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119430016
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51144283
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 4531318
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11918851
[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 3508705
2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
CID 78784198
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,5-dimethylphenyl)benzamide
CID 26909435

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide?
The IUPAC name of N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide (CID 7945317) is N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide?
The canonical SMILES for N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide is O=C(CSc1cccc2cccc(Cl)c12)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide?
The InChIKey is TVZCJLDSOKYBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNOS/c23-18-5-1-3-17-4-2-6-19(21(17)18)26-13-20(25)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16H,7-13H2,(H,24,25).
What are the key properties of N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide?
N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide has a molecular weight of 385.96 g/mol, XLogP of 5.67, 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-(8-chloronaphthalen-1-yl)sulfanylacetamide is sourced from PubChem (CID 7945317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).