2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide

C24H32N2OS2 — CID 19000420

IUPAC2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide
SMILESCc1ccc(C)c(SC2CCCCC2SCC(=O)N(C)C(C)c2ccccn2)c1
InChIInChI=1S/C24H32N2OS2/c1-17-12-13-18(2)23(15-17)29-22-11-6-5-10-21(22)28-16-24(27)26(4)19(3)20-9-7-8-14-25-20/h7-9,12-15,19,21-22H,5-6,10-11,16H2,1-4H3
InChIKeyGOFRNLHNKBSTLC-UHFFFAOYSA-N
MW428.67 g/mol
LogP6.05
Rot. Bonds7

About 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide

2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 19000420) has the molecular formula C24H32N2OS2 and a molecular weight of 428.67 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID19000420
Molecular FormulaC24H32N2OS2
Molecular Weight428.67 g/mol
Exact Mass428.20
IUPAC Name2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide
SMILESCc1ccc(C)c(SC2CCCCC2SCC(=O)N(C)C(C)c2ccccn2)c1
InChIInChI=1S/C24H32N2OS2/c1-17-12-13-18(2)23(15-17)29-22-11-6-5-10-21(22)28-16-24(27)26(4)19(3)20-9-7-8-14-25-20/h7-9,12-15,19,21-22H,5-6,10-11,16H2,1-4H3
InChIKeyGOFRNLHNKBSTLC-UHFFFAOYSA-N
XLogP6.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.67
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide with MolForge

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Related Compounds

2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanylacetic acid
CID 19000492
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
2-[(1R,2R)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 15287679
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 96516588
1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-2-ylethyl)urea
CID 3445678
N,N-dimethyl-2-[4-[[(1R)-1-pyridin-2-ylethyl]amino]piperidin-1-yl]acetamide
CID 81393445
(3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide
CID 95231445
N,2,7-trimethyl-N-(1-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 46984242
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926
3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86861279
N-methyl-N-(1-pyridin-2-ylethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 146085172

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide (CID 19000420) is 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide is Cc1ccc(C)c(SC2CCCCC2SCC(=O)N(C)C(C)c2ccccn2)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is GOFRNLHNKBSTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2OS2/c1-17-12-13-18(2)23(15-17)29-22-11-6-5-10-21(22)28-16-24(27)26(4)19(3)20-9-7-8-14-25-20/h7-9,12-15,19,21-22H,5-6,10-11,16H2,1-4H3.
What are the key properties of 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide?
2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 428.67 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 19000420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).