N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide

C16H23NOS — CID 895771

IUPACN-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H23NOS/c1-13-8-10-15(11-9-13)19-12-16(18)17-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,17,18)
InChIKeyAZFLZKNTUBLTDF-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.93
Rot. Bonds4

About N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide

N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 895771) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide
PubChem CID895771
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H23NOS/c1-13-8-10-15(11-9-13)19-12-16(18)17-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,17,18)
InChIKeyAZFLZKNTUBLTDF-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide
CID 557617
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-N-Methylamino-1-(4-ethylthiophenyl)propane
CID 44613451
2-N-Ethylamino-1-(4-ethylthiophenyl)propane
CID 44613452
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
[2-(Cycloheptylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24687520

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide (CID 895771) is N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is AZFLZKNTUBLTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-13-8-10-15(11-9-13)19-12-16(18)17-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,17,18).
What are the key properties of N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide?
N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 277.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 895771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).