N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide

C21H26FN3O3S — CID 18508984

IUPACN-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCN(C(C)=O)c1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O3S/c1-4-25(16(2)26)20-15-18(24-13-11-23(3)12-14-24)7-10-21(20)29(27,28)19-8-5-17(22)6-9-19/h5-10,15H,4,11-14H2,1-3H3
InChIKeyMGQUEVAMXKPJIQ-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.78
Rot. Bonds5

About N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide

N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 18508984) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID18508984
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC NameN-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCN(C(C)=O)c1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O3S/c1-4-25(16(2)26)20-15-18(24-13-11-23(3)12-14-24)7-10-21(20)29(27,28)19-8-5-17(22)6-9-19/h5-10,15H,4,11-14H2,1-3H3
InChIKeyMGQUEVAMXKPJIQ-UHFFFAOYSA-N
XLogP2.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508987
N-[5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonylphenyl]-N-ethylacetamide
CID 18508926
2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)aniline
CID 10269278
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
2-(3,4-difluorophenyl)sulfonyl-N,N-diethyl-5-(4-methyl-1,4-diazepan-1-yl)aniline
CID 18508909
2-(3,4-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N,N-dipropylaniline
CID 18508930
N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508923
N-[5-(1,4-diazepan-1-yl)-2-(3,5-difluorophenyl)sulfonylphenyl]-N-methylacetamide
CID 10159326
2-(3,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-N-propylaniline
CID 18508983
2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline
CID 18508888
N-[2-(3,5-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]butanamide
CID 90802798
2-[acetyl(2-methoxyethyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 134464811

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 18508984) is N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide is CCN(C(C)=O)c1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is MGQUEVAMXKPJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-4-25(16(2)26)20-15-18(24-13-11-23(3)12-14-24)7-10-21(20)29(27,28)19-8-5-17(22)6-9-19/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 419.52 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 18508984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).