N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide

C18H22FN3O4S — CID 113150299

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccco1
InChIInChI=1S/C18H22FN3O4S/c1-27(24,25)22(13-15-5-4-12-26-15)14-18(23)21-10-8-20(9-11-21)17-7-3-2-6-16(17)19/h2-7,12H,8-11,13-14H2,1H3
InChIKeySUQQLNZHYKGRPI-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide (PubChem CID 113150299) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide
PubChem CID113150299
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccco1
InChIInChI=1S/C18H22FN3O4S/c1-27(24,25)22(13-15-5-4-12-26-15)14-18(23)21-10-8-20(9-11-21)17-7-3-2-6-16(17)19/h2-7,12H,8-11,13-14H2,1H3
InChIKeySUQQLNZHYKGRPI-UHFFFAOYSA-N
XLogP1.53
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2428178
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 42703541
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030452
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113138450
N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide
CID 113140833
N-[(2-fluorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 2925890
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-3-oxopropane-1-sulfonamide
CID 110343327
(3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide
CID 7317240
N-(furan-2-ylmethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161025
N-cyclopropyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158364
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenoxyphenyl)methanesulfonamide
CID 30266355
N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113161012

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide (CID 113150299) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccco1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The InChIKey is SUQQLNZHYKGRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-27(24,25)22(13-15-5-4-12-26-15)14-18(23)21-10-8-20(9-11-21)17-7-3-2-6-16(17)19/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 113150299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).