N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide

C16H20N4O4S — CID 113014461

IUPACN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C16H20N4O4S/c1-2-25(22,23)18-13-5-6-15(17-12-13)19-7-9-20(10-8-19)16(21)14-4-3-11-24-14/h3-6,11-12,18H,2,7-10H2,1H3
InChIKeySVKBDNCFTMGXMA-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.40
Rot. Bonds5

About N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide

N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide (PubChem CID 113014461) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide
PubChem CID113014461
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1
InChIInChI=1S/C16H20N4O4S/c1-2-25(22,23)18-13-5-6-15(17-12-13)19-7-9-20(10-8-19)16(21)14-4-3-11-24-14/h3-6,11-12,18H,2,7-10H2,1H3
InChIKeySVKBDNCFTMGXMA-UHFFFAOYSA-N
XLogP1.40
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 46157166
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151899
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857103
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956
[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153468
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158129
4-(furan-2-carbonyl)-N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111168792
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide (CID 113014461) is N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1.
What is the InChIKey of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide?
The InChIKey is SVKBDNCFTMGXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-2-25(22,23)18-13-5-6-15(17-12-13)19-7-9-20(10-8-19)16(21)14-4-3-11-24-14/h3-6,11-12,18H,2,7-10H2,1H3.
What are the key properties of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide?
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113014461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).