2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide

C22H28N4O2S — CID 55858867

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H28N4O2S/c1-16(29-21-8-6-18(7-9-21)24-17(2)27)22(28)25-19-10-13-26(14-11-19)15-20-5-3-4-12-23-20/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLYTOBZNQFRSPJS-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.30
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 55858867) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
PubChem CID55858867
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H28N4O2S/c1-16(29-21-8-6-18(7-9-21)24-17(2)27)22(28)25-19-10-13-26(14-11-19)15-20-5-3-4-12-23-20/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLYTOBZNQFRSPJS-UHFFFAOYSA-N
XLogP3.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858736
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250
methyl 4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]carbamothioylamino]benzoate
CID 100572550
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide
CID 55832851
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111990343
1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 124619687
1-(3-bromo-4-methylphenyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 78889744
1-(4-anilinophenyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572511

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide (CID 55858867) is 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide is CC(=O)Nc1ccc(SC(C)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is LYTOBZNQFRSPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-16(29-21-8-6-18(7-9-21)24-17(2)27)22(28)25-19-10-13-26(14-11-19)15-20-5-3-4-12-23-20/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 412.56 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 55858867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).