5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide

C17H21N3O5S — CID 120733131

IUPAC5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(S(N)(=O)=O)c(C)o1
InChIInChI=1S/C17H21N3O5S/c1-11-16(26(18,22)23)9-15(25-11)17(21)20-8-7-19-10-13(20)12-5-3-4-6-14(12)24-2/h3-6,9,13,19H,7-8,10H2,1-2H3,(H2,18,22,23)
InChIKeyDLKASJULYDFYAJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.03
Rot. Bonds4

About 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide

5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide (PubChem CID 120733131) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
PubChem CID120733131
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(S(N)(=O)=O)c(C)o1
InChIInChI=1S/C17H21N3O5S/c1-11-16(26(18,22)23)9-15(25-11)17(21)20-8-7-19-10-13(20)12-5-3-4-6-14(12)24-2/h3-6,9,13,19H,7-8,10H2,1-2H3,(H2,18,22,23)
InChIKeyDLKASJULYDFYAJ-UHFFFAOYSA-N
XLogP1.03
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide
CID 119473665
[2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 120734197
[2-(2-methoxyphenyl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 120734776
2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride
CID 120729448
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732907
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733241

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide (CID 120733131) is 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide is COc1ccccc1C1CNCCN1C(=O)c1cc(S(N)(=O)=O)c(C)o1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide?
The InChIKey is DLKASJULYDFYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-11-16(26(18,22)23)9-15(25-11)17(21)20-8-7-19-10-13(20)12-5-3-4-6-14(12)24-2/h3-6,9,13,19H,7-8,10H2,1-2H3,(H2,18,22,23).
What are the key properties of 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide?
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide has a molecular weight of 379.44 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 120733131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).