2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C22H33N3O2S — CID 4884933

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C22H33N3O2S/c1-18(26)24-19-8-10-20(11-9-19)28-16-21(27)23-17-22(12-4-2-5-13-22)25-14-6-3-7-15-25/h8-11H,2-7,12-17H2,1H3,(H,23,27)(H,24,26)
InChIKeyUNQYXZHYMWSZKE-UHFFFAOYSA-N
MW403.59 g/mol
LogP4.04
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 4884933) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID4884933
Molecular FormulaC22H33N3O2S
Molecular Weight403.59 g/mol
Exact Mass403.23
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C22H33N3O2S/c1-18(26)24-19-8-10-20(11-9-19)28-16-21(27)23-17-22(12-4-2-5-13-22)25-14-6-3-7-15-25/h8-11H,2-7,12-17H2,1H3,(H,23,27)(H,24,26)
InChIKeyUNQYXZHYMWSZKE-UHFFFAOYSA-N
XLogP4.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 4884933) is 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is CC(=O)Nc1ccc(SCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is UNQYXZHYMWSZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2S/c1-18(26)24-19-8-10-20(11-9-19)28-16-21(27)23-17-22(12-4-2-5-13-22)25-14-6-3-7-15-25/h8-11H,2-7,12-17H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 403.59 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 4884933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).