2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide

C25H26ClN3O4S — CID 17320520

IUPAC2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H26ClN3O4S/c1-33-24-5-3-2-4-23(24)28-14-16-29(17-15-28)34(31,32)22-12-10-21(11-13-22)27-25(30)18-19-6-8-20(26)9-7-19/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyPJWNNRPHFBYWCS-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.04
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide

2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 17320520) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID17320520
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC Name2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H26ClN3O4S/c1-33-24-5-3-2-4-23(24)28-14-16-29(17-15-28)34(31,32)22-12-10-21(11-13-22)27-25(30)18-19-6-8-20(26)9-7-19/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyPJWNNRPHFBYWCS-UHFFFAOYSA-N
XLogP4.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320534
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
CID 17321010
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321608
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321166
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
CID 17320775
N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
3,5-dimethoxy-N-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylanilino]-3-oxopropyl]benzamide
CID 17191829
4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 18892691
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitrobenzamide
CID 17319594

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 17320520) is 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is PJWNNRPHFBYWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-33-24-5-3-2-4-23(24)28-14-16-29(17-15-28)34(31,32)22-12-10-21(11-13-22)27-25(30)18-19-6-8-20(26)9-7-19/h2-13H,14-18H2,1H3,(H,27,30).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 500.02 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 17320520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).