N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide

C19H21N3O2S — CID 71882932

IUPACN-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide
SMILESCCSc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cn1
InChIInChI=1S/C19H21N3O2S/c1-2-25-17-11-8-15(13-20-17)21-19(24)14-6-9-16(10-7-14)22-12-4-3-5-18(22)23/h6-11,13H,2-5,12H2,1H3,(H,21,24)
InChIKeyJKPZMJZJJGFPHI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.96
Rot. Bonds5

About N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide

N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 71882932) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID71882932
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide
SMILESCCSc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cn1
InChIInChI=1S/C19H21N3O2S/c1-2-25-17-11-8-15(13-20-17)21-19(24)14-6-9-16(10-7-14)22-12-4-3-5-18(22)23/h6-11,13H,2-5,12H2,1H3,(H,21,24)
InChIKeyJKPZMJZJJGFPHI-UHFFFAOYSA-N
XLogP3.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 39862925
N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 32620770
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679

Frequently Asked Questions

What is the IUPAC name of N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide (CID 71882932) is N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide is CCSc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cn1.
What is the InChIKey of N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is JKPZMJZJJGFPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-25-17-11-8-15(13-20-17)21-19(24)14-6-9-16(10-7-14)22-12-4-3-5-18(22)23/h6-11,13H,2-5,12H2,1H3,(H,21,24).
What are the key properties of N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide?
N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 355.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 71882932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).