4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide

C18H23N3O5S — CID 55809205

IUPAC4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccoc3)CC2)cc1
InChIInChI=1S/C18H23N3O5S/c1-2-26-16-3-5-17(6-4-16)27(23,24)21-10-8-20(9-11-21)18(22)19-13-15-7-12-25-14-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22)
InChIKeyGHFRXLSWSPAZSU-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.89
Rot. Bonds6

About 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide

4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 55809205) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide
PubChem CID55809205
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccoc3)CC2)cc1
InChIInChI=1S/C18H23N3O5S/c1-2-26-16-3-5-17(6-4-16)27(23,24)21-10-8-20(9-11-21)18(22)19-13-15-7-12-25-14-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22)
InChIKeyGHFRXLSWSPAZSU-UHFFFAOYSA-N
XLogP1.89
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 41191852
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9326834
(2,6-dimethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 108567799
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 2664078
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanenitrile
CID 108567475
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 4822189

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide (CID 55809205) is 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccoc3)CC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is GHFRXLSWSPAZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-2-26-16-3-5-17(6-4-16)27(23,24)21-10-8-20(9-11-21)18(22)19-13-15-7-12-25-14-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22).
What are the key properties of 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide?
4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 55809205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).