N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C19H21Cl2N3O5S — CID 55882494

IUPACN-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C)o1
InChIInChI=1S/C19H21Cl2N3O5S/c1-12-10-14(13(2)29-12)19(26)22-11-17(25)23-6-8-24(9-7-23)30(27,28)16-5-3-4-15(20)18(16)21/h3-5,10H,6-9,11H2,1-2H3,(H,22,26)
InChIKeyVSAGDEOXDZZZHI-UHFFFAOYSA-N
MW474.37 g/mol
LogP2.47
Rot. Bonds5

About N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55882494) has the molecular formula C19H21Cl2N3O5S and a molecular weight of 474.37 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55882494
Molecular FormulaC19H21Cl2N3O5S
Molecular Weight474.37 g/mol
Exact Mass473.06
IUPAC NameN-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C)o1
InChIInChI=1S/C19H21Cl2N3O5S/c1-12-10-14(13(2)29-12)19(26)22-11-17(25)23-6-8-24(9-7-23)30(27,28)16-5-3-4-15(20)18(16)21/h3-5,10H,6-9,11H2,1-2H3,(H,22,26)
InChIKeyVSAGDEOXDZZZHI-UHFFFAOYSA-N
XLogP2.47
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 27563305
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55910128
3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55870206
N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 9239660
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 55862646
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 55687787
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 26204875
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 55702670
2-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119265778

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 55882494) is N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C)o1.
What is the InChIKey of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VSAGDEOXDZZZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O5S/c1-12-10-14(13(2)29-12)19(26)22-11-17(25)23-6-8-24(9-7-23)30(27,28)16-5-3-4-15(20)18(16)21/h3-5,10H,6-9,11H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55882494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).