N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide

C18H22N4O3S — CID 167788841

IUPACN-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-14(23)20-15-5-7-17(8-6-15)26(24,25)22-12-9-16(10-13-22)21-18-4-2-3-11-19-18/h2-8,11,16H,9-10,12-13H2,1H3,(H,19,21)(H,20,23)
InChIKeyVHJRAMUMRPNYCL-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.31
Rot. Bonds5

About N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 167788841) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID167788841
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-14(23)20-15-5-7-17(8-6-15)26(24,25)22-12-9-16(10-13-22)21-18-4-2-3-11-19-18/h2-8,11,16H,9-10,12-13H2,1H3,(H,19,21)(H,20,23)
InChIKeyVHJRAMUMRPNYCL-UHFFFAOYSA-N
XLogP2.31
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 171336337
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-quinolin-8-ylacetamide
CID 24653440
N-[4-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 90507631
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 2901483
N-[4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]acetamide
CID 71799623
N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
CID 90560100
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[4-[4-[(2-methoxyphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612547

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide (CID 167788841) is N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is VHJRAMUMRPNYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-14(23)20-15-5-7-17(8-6-15)26(24,25)22-12-9-16(10-13-22)21-18-4-2-3-11-19-18/h2-8,11,16H,9-10,12-13H2,1H3,(H,19,21)(H,20,23).
What are the key properties of N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 167788841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).