oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide

C20H24N4O7S — CID 2901483

IUPACoxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H22N4O3S.C2H2O4/c1-15(23)20-16-5-7-18(8-6-16)26(24,25)22-12-10-21(11-13-22)14-17-4-2-3-9-19-17;3-1(4)2(5)6/h2-9H,10-14H2,1H3,(H,20,23);(H,3,4)(H,5,6)
InChIKeyBRHLXBLOQRWQMW-UHFFFAOYSA-N
MW464.50 g/mol
LogP0.70
Rot. Bonds5

About oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide

oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2901483) has the molecular formula C20H24N4O7S and a molecular weight of 464.50 g/mol. Its IUPAC name is oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Nameoxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID2901483
Molecular FormulaC20H24N4O7S
Molecular Weight464.50 g/mol
Exact Mass464.14
IUPAC Nameoxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H22N4O3S.C2H2O4/c1-15(23)20-16-5-7-18(8-6-16)26(24,25)22-12-10-21(11-13-22)14-17-4-2-3-9-19-17;3-1(4)2(5)6/h2-9H,10-14H2,1H3,(H,20,23);(H,3,4)(H,5,6)
InChIKeyBRHLXBLOQRWQMW-UHFFFAOYSA-N
XLogP0.70
TPSA157.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

oxalic acid;N-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902908
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41009115
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
N-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1342008
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250
N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 110395637
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16573037
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
N-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1150482

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 2901483) is oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is BRHLXBLOQRWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S.C2H2O4/c1-15(23)20-16-5-7-18(8-6-16)26(24,25)22-12-10-21(11-13-22)14-17-4-2-3-9-19-17;3-1(4)2(5)6/h2-9H,10-14H2,1H3,(H,20,23);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 464.50 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2901483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).