2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C18H25NOS2 — CID 8513527

IUPAC2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CSC12CC3CC(CC(C3)C1)C2)c1cccs1
InChIInChI=1S/C18H25NOS2/c1-12(16-3-2-4-21-16)19-17(20)11-22-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,12-15H,5-11H2,1H3,(H,19,20)/t12-,13?,14?,15?,18?/m0/s1
InChIKeyNXBQJCBBRARJFV-IHWZXDPASA-N
MW335.54 g/mol
LogP4.63
Rot. Bonds5

About 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 8513527) has the molecular formula C18H25NOS2 and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID8513527
Molecular FormulaC18H25NOS2
Molecular Weight335.54 g/mol
Exact Mass335.14
IUPAC Name2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CSC12CC3CC(CC(C3)C1)C2)c1cccs1
InChIInChI=1S/C18H25NOS2/c1-12(16-3-2-4-21-16)19-17(20)11-22-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,12-15H,5-11H2,1H3,(H,19,20)/t12-,13?,14?,15?,18?/m0/s1
InChIKeyNXBQJCBBRARJFV-IHWZXDPASA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantylsulfanyl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 8513505
2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 43237373
1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 68596245
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] pyrrolidine-1-carbodithioate
CID 78510806
2-(2-aminobutylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 66228221
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78912864
3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408603
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 42990207
N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 40682887

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 8513527) is 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)CSC12CC3CC(CC(C3)C1)C2)c1cccs1.
What is the InChIKey of 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is NXBQJCBBRARJFV-IHWZXDPASA-N. The full InChI is InChI=1S/C18H25NOS2/c1-12(16-3-2-4-21-16)19-17(20)11-22-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,12-15H,5-11H2,1H3,(H,19,20)/t12-,13?,14?,15?,18?/m0/s1.
What are the key properties of 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 335.54 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 8513527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).