4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide

C19H25N3O4S — CID 94015600

IUPAC4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3c(C)oc(C)c3S(N)(=O)=O)CC2)c1C
InChIInChI=1S/C19H25N3O4S/c1-12-6-5-7-16(13(12)2)21-8-10-22(11-9-21)19(23)17-14(3)26-15(4)18(17)27(20,24)25/h5-7H,8-11H2,1-4H3,(H2,20,24,25)
InChIKeyJUEKBACHSBPDJX-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.12
Rot. Bonds3

About 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide

4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide (PubChem CID 94015600) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide
PubChem CID94015600
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3c(C)oc(C)c3S(N)(=O)=O)CC2)c1C
InChIInChI=1S/C19H25N3O4S/c1-12-6-5-7-16(13(12)2)21-8-10-22(11-9-21)19(23)17-14(3)26-15(4)18(17)27(20,24)25/h5-7H,8-11H2,1-4H3,(H2,20,24,25)
InChIKeyJUEKBACHSBPDJX-UHFFFAOYSA-N
XLogP2.12
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27259340
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
2-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 43243118
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 51082075
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
(5-chloro-1-benzofuran-2-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 9271230

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide (CID 94015600) is 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide is Cc1cccc(N2CCN(C(=O)c3c(C)oc(C)c3S(N)(=O)=O)CC2)c1C.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is JUEKBACHSBPDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-12-6-5-7-16(13(12)2)21-8-10-22(11-9-21)19(23)17-14(3)26-15(4)18(17)27(20,24)25/h5-7H,8-11H2,1-4H3,(H2,20,24,25).
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide?
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 391.49 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 94015600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).