N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide

C17H22N4O4S — CID 43063731

IUPACN-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESCC(NC(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccco1
InChIInChI=1S/C17H22N4O4S/c1-14(16-5-3-11-25-16)19-17(22)13-20-7-9-21(10-8-20)26(23,24)15-4-2-6-18-12-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,22)
InChIKeyVQSNCGWOHIXWJX-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.86
Rot. Bonds6

About N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide

N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 43063731) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID43063731
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESCC(NC(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccco1
InChIInChI=1S/C17H22N4O4S/c1-14(16-5-3-11-25-16)19-17(22)13-20-7-9-21(10-8-20)26(23,24)15-4-2-6-18-12-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,22)
InChIKeyVQSNCGWOHIXWJX-UHFFFAOYSA-N
XLogP0.86
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010761
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
N-(2-methylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010289
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
N-(2-cyanoethyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39012931
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95278550
2-(4-aminopiperidin-1-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 43556867
N-[(1R)-1-(furan-2-yl)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8692168
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8690901
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596472
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8554158

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (CID 43063731) is N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is CC(NC(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is VQSNCGWOHIXWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-14(16-5-3-11-25-16)19-17(22)13-20-7-9-21(10-8-20)26(23,24)15-4-2-6-18-12-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,22).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 43063731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).