2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

C24H32N4O2S — CID 86968915

IUPAC2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccccc1SCC1CCCO1
InChIInChI=1S/C24H32N4O2S/c1-19(17-27-12-14-28(15-13-27)23-10-4-5-11-25-23)26-24(29)21-8-2-3-9-22(21)31-18-20-7-6-16-30-20/h2-5,8-11,19-20H,6-7,12-18H2,1H3,(H,26,29)
InChIKeySMKIQPYKNXLRKG-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.29
Rot. Bonds8

About 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide (PubChem CID 86968915) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
PubChem CID86968915
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccccc1SCC1CCCO1
InChIInChI=1S/C24H32N4O2S/c1-19(17-27-12-14-28(15-13-27)23-10-4-5-11-25-23)26-24(29)21-8-2-3-9-22(21)31-18-20-7-6-16-30-20/h2-5,8-11,19-20H,6-7,12-18H2,1H3,(H,26,29)
InChIKeySMKIQPYKNXLRKG-UHFFFAOYSA-N
XLogP3.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
2-(oxolan-2-ylmethylsulfanyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585692
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 86830268
2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008384
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide
CID 86969023
(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide
CID 120941925
N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 42888884
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide
CID 9043774
3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86968778
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94171475

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide (CID 86968915) is 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccccc1SCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The InChIKey is SMKIQPYKNXLRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-19(17-27-12-14-28(15-13-27)23-10-4-5-11-25-23)26-24(29)21-8-2-3-9-22(21)31-18-20-7-6-16-30-20/h2-5,8-11,19-20H,6-7,12-18H2,1H3,(H,26,29).
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide has a molecular weight of 440.61 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 86968915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).