N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide

C26H27Cl2N3O3S — CID 4966840

IUPACN-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CC2)cc1C
InChIInChI=1S/C26H27Cl2N3O3S/c1-18-8-9-24(14-19(18)2)35(33,34)31-12-10-30(11-13-31)25(20-6-4-3-5-7-20)26(32)29-23-16-21(27)15-22(28)17-23/h3-9,14-17,25H,10-13H2,1-2H3,(H,29,32)
InChIKeyUKAOGSWCCGYIQO-UHFFFAOYSA-N
MW532.49 g/mol
LogP5.30
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide

N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide (PubChem CID 4966840) has the molecular formula C26H27Cl2N3O3S and a molecular weight of 532.49 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
PubChem CID4966840
Molecular FormulaC26H27Cl2N3O3S
Molecular Weight532.49 g/mol
Exact Mass531.12
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CC2)cc1C
InChIInChI=1S/C26H27Cl2N3O3S/c1-18-8-9-24(14-19(18)2)35(33,34)31-12-10-30(11-13-31)25(20-6-4-3-5-7-20)26(32)29-23-16-21(27)15-22(28)17-23/h3-9,14-17,25H,10-13H2,1-2H3,(H,29,32)
InChIKeyUKAOGSWCCGYIQO-UHFFFAOYSA-N
XLogP5.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2509327
N-(3,5-dichlorophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-phenylacetamide
CID 3284105
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 55351317
(2S)-N-(4-chlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97070852
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
(2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylpropanamide
CID 2656181
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2471626
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylacetic acid
CID 138003611
(2S)-N-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 51673367

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide (CID 4966840) is N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide is Cc1ccc(S(=O)(=O)N2CCN(C(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CC2)cc1C.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The InChIKey is UKAOGSWCCGYIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N3O3S/c1-18-8-9-24(14-19(18)2)35(33,34)31-12-10-30(11-13-31)25(20-6-4-3-5-7-20)26(32)29-23-16-21(27)15-22(28)17-23/h3-9,14-17,25H,10-13H2,1-2H3,(H,29,32).
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide has a molecular weight of 532.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 4966840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).