2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide

C15H20BrNOS — CID 2341548

IUPAC2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H20BrNOS/c1-17(13-5-3-2-4-6-13)15(18)11-19-14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeyQAHVPMBXQVKTFM-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide

2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide (PubChem CID 2341548) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
PubChem CID2341548
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC Name2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H20BrNOS/c1-17(13-5-3-2-4-6-13)15(18)11-19-14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeyQAHVPMBXQVKTFM-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-Bromophenyl)sulfanylethyl]-1-methyl-1,4-diazepan-5-one
CID 16060990
2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide
CID 2340213
1-(Azepan-1-yl)-3-(4-bromophenyl)sulfonylpropan-1-one
CID 4691630
(5S)-1-[2-(4-bromophenyl)sulfanylethyl]-5-methylazepan-2-one
CID 42628527
2-[(4-Bromophenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
CID 13058746
1-{[(4-Bromophenyl)thio]acetyl}piperidine
CID 900695
2-((4-Bromophenyl)thio)-N-cyclopentylacetamide
CID 2351741
N-benzyl-2-(4-bromophenyl)sulfanyl-N-methylacetamide
CID 2355228
2-(4-bromophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
CID 75415065
N-cyclohexyl-N-ethyl-(4-fluorophenylthio)acetic acid amide
CID 67375174
1-[4-[(4-Bromo-3-fluorophenyl)sulfanylmethyl]piperidin-1-yl]ethanone
CID 155212929
1-[4-[S-(4-bromophenyl)-N-ethylsulfonimidoyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 164863923

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide (CID 2341548) is 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide is CN(C(=O)CSc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The InChIKey is QAHVPMBXQVKTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c1-17(13-5-3-2-4-6-13)15(18)11-19-14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide has a molecular weight of 342.30 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 2341548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).