N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide

C18H21N3O3S — CID 659759

IUPACN-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-14(22)20-16-7-9-17(10-8-16)25(23,24)21-12-3-2-6-18(21)15-5-4-11-19-13-15/h4-5,7-11,13,18H,2-3,6,12H2,1H3,(H,20,22)
InChIKeyRIKLLPBLRCPXRV-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.96
Rot. Bonds4

About N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide

N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 659759) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID659759
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-14(22)20-16-7-9-17(10-8-16)25(23,24)21-12-3-2-6-18(21)15-5-4-11-19-13-15/h4-5,7-11,13,18H,2-3,6,12H2,1H3,(H,20,22)
InChIKeyRIKLLPBLRCPXRV-UHFFFAOYSA-N
XLogP2.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40774853
2-methoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40607024
3-phenyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 5182057
3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 3622156
3-bromo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048774
2-ethoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40774857
4-methyl-3-nitro-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048759
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
(E)-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 98142076
2-chloro-5-nitro-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41048753
2-oxo-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]chromene-3-carboxamide
CID 41048784

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 659759) is N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1.
What is the InChIKey of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is RIKLLPBLRCPXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14(22)20-16-7-9-17(10-8-16)25(23,24)21-12-3-2-6-18(21)15-5-4-11-19-13-15/h4-5,7-11,13,18H,2-3,6,12H2,1H3,(H,20,22).
What are the key properties of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide?
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 659759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).