N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C20H24FN3O4S — CID 8800587

IUPACN-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FN3O4S/c1-15-6-7-18(28-2)19(12-15)29(26,27)24-10-8-23(9-11-24)14-20(25)22-17-5-3-4-16(21)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyWEUIAUHKSFETDH-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.09
Rot. Bonds6

About N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8800587) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8800587
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FN3O4S/c1-15-6-7-18(28-2)19(12-15)29(26,27)24-10-8-23(9-11-24)14-20(25)22-17-5-3-4-16(21)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyWEUIAUHKSFETDH-UHFFFAOYSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 5093122
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
N-cyclopropyl-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189833
N-(3,5-difluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 24680053
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351809
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 8818419
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2655698
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 31129825
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351787
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8800587) is N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide is COc1ccc(C)cc1S(=O)(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is WEUIAUHKSFETDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-15-6-7-18(28-2)19(12-15)29(26,27)24-10-8-23(9-11-24)14-20(25)22-17-5-3-4-16(21)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 421.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8800587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).