N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C19H23N5O6S — CID 24614392

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cn3ccc(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C19H23N5O6S/c1-13(25)20-14-2-4-16(5-3-14)31(29,30)24-10-6-15(7-11-24)21-18(27)12-23-9-8-17(26)22-19(23)28/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,20,25)(H,21,27)(H,22,26,28)
InChIKeyYUROUHJOSLJEQW-UHFFFAOYSA-N
MW449.49 g/mol
LogP-0.54
Rot. Bonds6

About N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 24614392) has the molecular formula C19H23N5O6S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID24614392
Molecular FormulaC19H23N5O6S
Molecular Weight449.49 g/mol
Exact Mass449.14
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cn3ccc(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C19H23N5O6S/c1-13(25)20-14-2-4-16(5-3-14)31(29,30)24-10-6-15(7-11-24)21-18(27)12-23-9-8-17(26)22-19(23)28/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,20,25)(H,21,27)(H,22,26,28)
InChIKeyYUROUHJOSLJEQW-UHFFFAOYSA-N
XLogP-0.54
TPSA150.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561718
3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 108801580
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide
CID 7205951
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide
CID 24614355
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-quinolin-8-ylacetamide
CID 24653440
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 41368529
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 154858329

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 24614392) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cn3ccc(=O)[nH]c3=O)CC2)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is YUROUHJOSLJEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O6S/c1-13(25)20-14-2-4-16(5-3-14)31(29,30)24-10-6-15(7-11-24)21-18(27)12-23-9-8-17(26)22-19(23)28/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,20,25)(H,21,27)(H,22,26,28).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 449.49 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 24614392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).