N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide

C25H23ClFN3O2S — CID 4063446

IUPACN-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C25H23ClFN3O2S/c1-17(31)28-22-16-18(6-11-24(22)33-20-9-7-19(26)8-10-20)25(32)30-14-12-29(13-15-30)23-5-3-2-4-21(23)27/h2-11,16H,12-15H2,1H3,(H,28,31)
InChIKeyQRNCBXFMTWLUQO-UHFFFAOYSA-N
MW484.00 g/mol
LogP5.55
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide

N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 4063446) has the molecular formula C25H23ClFN3O2S and a molecular weight of 484.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID4063446
Molecular FormulaC25H23ClFN3O2S
Molecular Weight484.00 g/mol
Exact Mass483.12
IUPAC NameN-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C25H23ClFN3O2S/c1-17(31)28-22-16-18(6-11-24(22)33-20-9-7-19(26)8-10-20)25(32)30-14-12-29(13-15-30)23-5-3-2-4-21(23)27/h2-11,16H,12-15H2,1H3,(H,28,31)
InChIKeyQRNCBXFMTWLUQO-UHFFFAOYSA-N
XLogP5.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 20968001
N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46770608
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26590719
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
CID 17309248
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 100770479
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 1307505
(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 975323
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide (CID 4063446) is N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is QRNCBXFMTWLUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O2S/c1-17(31)28-22-16-18(6-11-24(22)33-20-9-7-19(26)8-10-20)25(32)30-14-12-29(13-15-30)23-5-3-2-4-21(23)27/h2-11,16H,12-15H2,1H3,(H,28,31).
What are the key properties of N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 484.00 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 4063446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).