N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide

C21H23Cl2N3O4S — CID 55380005

IUPACN-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O4S/c1-15(27)24-19(16-6-8-17(22)9-7-16)14-21(28)25-10-12-26(13-11-25)31(29,30)20-5-3-2-4-18(20)23/h2-9,19H,10-14H2,1H3,(H,24,27)
InChIKeyPUQDFEUBPBSQPC-UHFFFAOYSA-N
MW484.41 g/mol
LogP3.09
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide

N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 55380005) has the molecular formula C21H23Cl2N3O4S and a molecular weight of 484.41 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID55380005
Molecular FormulaC21H23Cl2N3O4S
Molecular Weight484.41 g/mol
Exact Mass483.08
IUPAC NameN-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O4S/c1-15(27)24-19(16-6-8-17(22)9-7-16)14-21(28)25-10-12-26(13-11-25)31(29,30)20-5-3-2-4-18(20)23/h2-9,19H,10-14H2,1H3,(H,24,27)
InChIKeyPUQDFEUBPBSQPC-UHFFFAOYSA-N
XLogP3.09
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24679879
N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide
CID 8924431
N-[1-(4-chlorophenyl)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide
CID 47008551
N-[(1R)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 41154962
N-[1-(4-chlorophenyl)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 55902543
N-[1-(4-chlorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119545597
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
2-(4-chlorophenoxy)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 27799783
1-(4-chlorophenyl)-4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 26757215
3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
CID 56538813
N-[1-(4-chlorophenyl)-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 55879539

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide (CID 55380005) is N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is PUQDFEUBPBSQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4S/c1-15(27)24-19(16-6-8-17(22)9-7-16)14-21(28)25-10-12-26(13-11-25)31(29,30)20-5-3-2-4-18(20)23/h2-9,19H,10-14H2,1H3,(H,24,27).
What are the key properties of N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide?
N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 484.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 55380005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).