N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide

C23H25FN4O3S — CID 31992841

IUPACN-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(CCC(=O)Nc4ccccc4F)CC3)cccc2c1
InChIInChI=1S/C23H25FN4O3S/c1-17-15-18-5-4-8-21(23(18)25-16-17)32(30,31)28-13-11-27(12-14-28)10-9-22(29)26-20-7-3-2-6-19(20)24/h2-8,15-16H,9-14H2,1H3,(H,26,29)
InChIKeyMFDHIZLFDNJSEC-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.02
Rot. Bonds6

About N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide

N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 31992841) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
PubChem CID31992841
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(CCC(=O)Nc4ccccc4F)CC3)cccc2c1
InChIInChI=1S/C23H25FN4O3S/c1-17-15-18-5-4-8-21(23(18)25-16-17)32(30,31)28-13-11-27(12-14-28)10-9-22(29)26-20-7-3-2-6-19(20)24/h2-8,15-16H,9-14H2,1H3,(H,26,29)
InChIKeyMFDHIZLFDNJSEC-UHFFFAOYSA-N
XLogP3.02
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 37089341
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24587410
N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444315
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31990964
3-methyl-8-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]sulfonylquinoline
CID 56550580
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24588851
N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24589202
N-(2-cyanoethyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 37091540
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119293056

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide (CID 31992841) is N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide is Cc1cnc2c(S(=O)(=O)N3CCN(CCC(=O)Nc4ccccc4F)CC3)cccc2c1.
What is the InChIKey of N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is MFDHIZLFDNJSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-17-15-18-5-4-8-21(23(18)25-16-17)32(30,31)28-13-11-27(12-14-28)10-9-22(29)26-20-7-3-2-6-19(20)24/h2-8,15-16H,9-14H2,1H3,(H,26,29).
What are the key properties of N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide?
N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 456.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 31992841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).