5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide

C16H18N4O5S — CID 119733816

IUPAC5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N)cc3)CC2)o1
InChIInChI=1S/C16H18N4O5S/c17-12-3-1-11(2-4-12)16(22)19-7-9-20(10-8-19)26(23,24)14-6-5-13(25-14)15(18)21/h1-6H,7-10,17H2,(H2,18,21)
InChIKeyACGZVSFONUHIEB-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.11
Rot. Bonds4

About 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 119733816) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID119733816
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Name5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N)cc3)CC2)o1
InChIInChI=1S/C16H18N4O5S/c17-12-3-1-11(2-4-12)16(22)19-7-9-20(10-8-19)26(23,24)14-6-5-13(25-14)15(18)21/h1-6H,7-10,17H2,(H2,18,21)
InChIKeyACGZVSFONUHIEB-UHFFFAOYSA-N
XLogP0.11
TPSA139.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691925
5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691700
5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55837251
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295058
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide;hydrochloride
CID 119295057
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415
5-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295056
5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 120981052
(4-aminophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 119702202
5-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 43076337
(4-aminophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678550
5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 78897205

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 119733816) is 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N)cc3)CC2)o1.
What is the InChIKey of 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is ACGZVSFONUHIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c17-12-3-1-11(2-4-12)16(22)19-7-9-20(10-8-19)26(23,24)14-6-5-13(25-14)15(18)21/h1-6H,7-10,17H2,(H2,18,21).
What are the key properties of 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 119733816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).