N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide

C14H18BrNOS — CID 2914068

IUPACN-(2-bromophenyl)-2-cyclohexylsulfanylacetamide
SMILESO=C(CSC1CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C14H18BrNOS/c15-12-8-4-5-9-13(12)16-14(17)10-18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyKEMCGDXFGTUWPU-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.45
Rot. Bonds4

About N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide

N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide (PubChem CID 2914068) has the molecular formula C14H18BrNOS and a molecular weight of 328.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-cyclohexylsulfanylacetamide
PubChem CID2914068
Molecular FormulaC14H18BrNOS
Molecular Weight328.27 g/mol
Exact Mass327.03
IUPAC NameN-(2-bromophenyl)-2-cyclohexylsulfanylacetamide
SMILESO=C(CSC1CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C14H18BrNOS/c15-12-8-4-5-9-13(12)16-14(17)10-18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyKEMCGDXFGTUWPU-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 136416
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CID 875433
N-(2-bromophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 720565
N-(4-bromophenyl)-2-((4-fluorophenyl)thio)acetamide
CID 893673
N-(2-bromophenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 2889033
N-(2-bromophenyl)-2,2-dimethylpropanamide
CID 357675
[3-(4-Bromo-phenylcarbamoyl)-propylsulfanyl]-acetic acid
CID 648081
4-(4-Bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 748010
N-(2-bromophenyl)-3-[(4-methylphenyl)sulfanyl]propanamide
CID 988415
N-(4-bromophenyl)-2-[(cyanomethyl)thio]acetamide
CID 2230065
2-Benzylsulfanyl-N-(2-bromo-phenyl)-propionamide
CID 2890486

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide (CID 2914068) is N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide is O=C(CSC1CCCCC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide?
The InChIKey is KEMCGDXFGTUWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c15-12-8-4-5-9-13(12)16-14(17)10-18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17).
What are the key properties of N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide?
N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide has a molecular weight of 328.27 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-cyclohexylsulfanylacetamide is sourced from PubChem (CID 2914068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).