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

C19H21F2N3O3S — CID 9493165

IUPAC(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21F2N3O3S/c1-14(19(25)22-17-4-2-3-16(21)13-17)23-9-11-24(12-10-23)28(26,27)18-7-5-15(20)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyLQPCYVGVFYFKHK-CQSZACIVSA-N
MW409.46 g/mol
LogP2.30
Rot. Bonds5

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

(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 9493165) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID9493165
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21F2N3O3S/c1-14(19(25)22-17-4-2-3-16(21)13-17)23-9-11-24(12-10-23)28(26,27)18-7-5-15(20)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyLQPCYVGVFYFKHK-CQSZACIVSA-N
XLogP2.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 46631323
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 25489352
(2S)-N-(3-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493478
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4824621
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8742773
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3603157
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41071347
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 9493165) is (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is LQPCYVGVFYFKHK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-14(19(25)22-17-4-2-3-16(21)13-17)23-9-11-24(12-10-23)28(26,27)18-7-5-15(20)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 409.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 9493165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).