2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide

C20H25N3OS — CID 91624812

IUPAC2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC1CCN(c2cccnc2)CC1
InChIInChI=1S/C20H25N3OS/c1-2-25-19-8-4-3-7-18(19)20(24)22-14-16-9-12-23(13-10-16)17-6-5-11-21-15-17/h3-8,11,15-16H,2,9-10,12-14H2,1H3,(H,22,24)
InChIKeyZPDRCCVWYMPJMW-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.84
Rot. Bonds6

About 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide

2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 91624812) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
PubChem CID91624812
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC1CCN(c2cccnc2)CC1
InChIInChI=1S/C20H25N3OS/c1-2-25-19-8-4-3-7-18(19)20(24)22-14-16-9-12-23(13-10-16)17-6-5-11-21-15-17/h3-8,11,15-16H,2,9-10,12-14H2,1H3,(H,22,24)
InChIKeyZPDRCCVWYMPJMW-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619780
1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624881
(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 100712572
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624876
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 91624832
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46403262
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-pyridin-3-ylbenzamide
CID 51162122
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86263573

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide (CID 91624812) is 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide is CCSc1ccccc1C(=O)NCC1CCN(c2cccnc2)CC1.
What is the InChIKey of 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is ZPDRCCVWYMPJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-2-25-19-8-4-3-7-18(19)20(24)22-14-16-9-12-23(13-10-16)17-6-5-11-21-15-17/h3-8,11,15-16H,2,9-10,12-14H2,1H3,(H,22,24).
What are the key properties of 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide?
2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 355.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 91624812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).