4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide

C24H24N4O5S — CID 67012332

IUPAC4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide
SMILESNC(=O)C1C(c2ccc(Oc3ccccc3)cc2)N(C(N)=O)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N4O5S/c25-23(29)22-21(17-11-13-19(14-12-17)33-18-7-3-1-4-8-18)27(24(26)30)15-16-28(22)34(31,32)20-9-5-2-6-10-20/h1-14,21-22H,15-16H2,(H2,25,29)(H2,26,30)
InChIKeyZFSXQMBFMYLBCM-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.46
Rot. Bonds6

About 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide

4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide (PubChem CID 67012332) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide
PubChem CID67012332
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide
SMILESNC(=O)C1C(c2ccc(Oc3ccccc3)cc2)N(C(N)=O)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N4O5S/c25-23(29)22-21(17-11-13-19(14-12-17)33-18-7-3-1-4-8-18)27(24(26)30)15-16-28(22)34(31,32)20-9-5-2-6-10-20/h1-14,21-22H,15-16H2,(H2,25,29)(H2,26,30)
InChIKeyZFSXQMBFMYLBCM-UHFFFAOYSA-N
XLogP2.46
TPSA136.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-4-methylsulfonyl-1-(4-phenoxyphenyl)sulfonylpiperazin-2-yl] carbamate
CID 22901521
(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide
CID 41301101
[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
(2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
CID 7443073
tert-butyl (3R)-4-(4-phenoxyphenyl)sulfonyl-3-(4-phenylphenyl)piperazine-1-carboxylate
CID 98086343
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
2-(3,4-dimethoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122345675
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonylpiperazine-2-carboxamide
CID 140991391
1-[(2R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 28565527
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide (CID 67012332) is 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide is NC(=O)C1C(c2ccc(Oc3ccccc3)cc2)N(C(N)=O)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide?
The InChIKey is ZFSXQMBFMYLBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c25-23(29)22-21(17-11-13-19(14-12-17)33-18-7-3-1-4-8-18)27(24(26)30)15-16-28(22)34(31,32)20-9-5-2-6-10-20/h1-14,21-22H,15-16H2,(H2,25,29)(H2,26,30).
What are the key properties of 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide?
4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide has a molecular weight of 480.55 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide is sourced from PubChem (CID 67012332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).