N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide

C19H23N3O6S — CID 7601104

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H23N3O6S/c1-27-16-5-2-4-15(14-16)18(23)20-7-13-29(25,26)22-10-8-21(9-11-22)19(24)17-6-3-12-28-17/h2-6,12,14H,7-11,13H2,1H3,(H,20,23)
InChIKeyOGWDBFSMRCEKLJ-UHFFFAOYSA-N
MW421.48 g/mol
LogP0.81
Rot. Bonds7

About N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide (PubChem CID 7601104) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
PubChem CID7601104
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H23N3O6S/c1-27-16-5-2-4-15(14-16)18(23)20-7-13-29(25,26)22-10-8-21(9-11-22)19(24)17-6-3-12-28-17/h2-6,12,14H,7-11,13H2,1H3,(H,20,23)
InChIKeyOGWDBFSMRCEKLJ-UHFFFAOYSA-N
XLogP0.81
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7601092
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 16820026
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601079
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide
CID 3161473
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-methoxybenzamide
CID 7601105
3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46055929
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide
CID 44961309
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
N-[2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111166344
4-(furan-2-carbonyl)-N-[(3-methoxyphenyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168092

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide (CID 7601104) is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide?
The InChIKey is OGWDBFSMRCEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-27-16-5-2-4-15(14-16)18(23)20-7-13-29(25,26)22-10-8-21(9-11-22)19(24)17-6-3-12-28-17/h2-6,12,14H,7-11,13H2,1H3,(H,20,23).
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide has a molecular weight of 421.48 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide is sourced from PubChem (CID 7601104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).