N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide

C18H22ClN3O4S — CID 86913214

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C18H22ClN3O4S/c1-27(24,25)15-4-5-16(19)17(11-15)20-18(23)13-22-8-6-21(7-9-22)12-14-3-2-10-26-14/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,23)
InChIKeyJJLJWYSWISVKML-UHFFFAOYSA-N
MW411.91 g/mol
LogP2.09
Rot. Bonds6

About N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide

N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 86913214) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID86913214
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C18H22ClN3O4S/c1-27(24,25)15-4-5-16(19)17(11-15)20-18(23)13-22-8-6-21(7-9-22)12-14-3-2-10-26-14/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,23)
InChIKeyJJLJWYSWISVKML-UHFFFAOYSA-N
XLogP2.09
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60710101
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
CID 6469434
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30620235
2-(4-benzyl-1,4-diazepan-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 16618242
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9434241
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24980260
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium
CID 7434647
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide (CID 86913214) is N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccco3)CC2)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is JJLJWYSWISVKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-27(24,25)15-4-5-16(19)17(11-15)20-18(23)13-22-8-6-21(7-9-22)12-14-3-2-10-26-14/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,23).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide?
N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 411.91 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86913214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).