N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide

C22H27N3O2S — CID 24688087

IUPACN-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C22H27N3O2S/c1-17-8-7-9-18(14-17)23-21(26)15-28-16-22(27)24-19-10-3-4-11-20(19)25-12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyIPIFHLRSJKWYQM-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.30
Rot. Bonds7

About N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide

N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide (PubChem CID 24688087) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide
PubChem CID24688087
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C22H27N3O2S/c1-17-8-7-9-18(14-17)23-21(26)15-28-16-22(27)24-19-10-3-4-11-20(19)25-12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyIPIFHLRSJKWYQM-UHFFFAOYSA-N
XLogP4.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10759099

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide (CID 24688087) is N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide is Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2N2CCCCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide?
The InChIKey is IPIFHLRSJKWYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-17-8-7-9-18(14-17)23-21(26)15-28-16-22(27)24-19-10-3-4-11-20(19)25-12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide?
N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide has a molecular weight of 397.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetamide is sourced from PubChem (CID 24688087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).