[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

C20H25N3O5S — CID 30832889

IUPAC[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1occc1COc1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C20H25N3O5S/c24-20(19-17(8-15-27-19)16-28-18-6-2-1-3-7-18)21-11-13-23(14-12-21)29(25,26)22-9-4-5-10-22/h1-3,6-8,15H,4-5,9-14,16H2
InChIKeySSCXYJMIEKNUHZ-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.96
Rot. Bonds6

About [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 30832889) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID30832889
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1occc1COc1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C20H25N3O5S/c24-20(19-17(8-15-27-19)16-28-18-6-2-1-3-7-18)21-11-13-23(14-12-21)29(25,26)22-9-4-5-10-22/h1-3,6-8,15H,4-5,9-14,16H2
InChIKeySSCXYJMIEKNUHZ-UHFFFAOYSA-N
XLogP1.96
TPSA83.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 56779877
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 95590071
1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55498214
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 41430741
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 30898695
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119663957
4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one
CID 35795456

Frequently Asked Questions

What is the IUPAC name of [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone (CID 30832889) is [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone is O=C(c1occc1COc1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is SSCXYJMIEKNUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c24-20(19-17(8-15-27-19)16-28-18-6-2-1-3-7-18)21-11-13-23(14-12-21)29(25,26)22-9-4-5-10-22/h1-3,6-8,15H,4-5,9-14,16H2.
What are the key properties of [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 419.50 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 30832889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).