N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide

C16H21NOS — CID 2896571

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H21NOS/c1-11-2-6-14(7-3-11)19-10-16(18)17-15-9-12-4-5-13(15)8-12/h2-3,6-7,12-13,15H,4-5,8-10H2,1H3,(H,17,18)
InChIKeySBTNZPMTBQJMEY-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.39
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 2896571) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID2896571
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H21NOS/c1-11-2-6-14(7-3-11)19-10-16(18)17-15-9-12-4-5-13(15)8-12/h2-3,6-7,12-13,15H,4-5,8-10H2,1H3,(H,17,18)
InChIKeySBTNZPMTBQJMEY-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 23328186
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7030042
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18557265
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)propanamide
CID 41454328
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 124834358
N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide
CID 2899831
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92644552
N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119609155
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 111661460

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide (CID 2896571) is N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC2CC3CCC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is SBTNZPMTBQJMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11-2-6-14(7-3-11)19-10-16(18)17-15-9-12-4-5-13(15)8-12/h2-3,6-7,12-13,15H,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 275.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 2896571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).