4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide

C25H32N2O2S — CID 159304007

IUPAC4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C1CCCSC1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C25H32N2O2S/c28-25(26-24-9-3-2-8-23(24)21-7-6-18-30-19-21)20-10-12-22(13-11-20)29-17-16-27-14-4-1-5-15-27/h2-3,8-13,21H,1,4-7,14-19H2,(H,26,28)
InChIKeyBFKWSRGFYVDDFP-UHFFFAOYSA-N
MW424.61 g/mol
LogP5.41
Rot. Bonds7

About 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide

4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide (PubChem CID 159304007) has the molecular formula C25H32N2O2S and a molecular weight of 424.61 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide
PubChem CID159304007
Molecular FormulaC25H32N2O2S
Molecular Weight424.61 g/mol
Exact Mass424.22
IUPAC Name4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C1CCCSC1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C25H32N2O2S/c28-25(26-24-9-3-2-8-23(24)21-7-6-18-30-19-21)20-10-12-22(13-11-20)29-17-16-27-14-4-1-5-15-27/h2-3,8-13,21H,1,4-7,14-19H2,(H,26,28)
InChIKeyBFKWSRGFYVDDFP-UHFFFAOYSA-N
XLogP5.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.61
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090227
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898
N-[2-amino-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70206920
N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 66626400
N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090288
N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434958
N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434976
N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434941
4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide
CID 63625792
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide?
The IUPAC name of 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide (CID 159304007) is 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide is O=C(Nc1ccccc1C1CCCSC1)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide?
The InChIKey is BFKWSRGFYVDDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2S/c28-25(26-24-9-3-2-8-23(24)21-7-6-18-30-19-21)20-10-12-22(13-11-20)29-17-16-27-14-4-1-5-15-27/h2-3,8-13,21H,1,4-7,14-19H2,(H,26,28).
What are the key properties of 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide?
4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide has a molecular weight of 424.61 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide is sourced from PubChem (CID 159304007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).