(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C23H22FN3O2S — CID 41119333

IUPAC(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H22FN3O2S/c24-18-8-10-19(11-9-18)25-22(28)21(17-5-2-1-3-6-17)26-12-14-27(15-13-26)23(29)20-7-4-16-30-20/h1-11,16,21H,12-15H2,(H,25,28)/t21-/m0/s1
InChIKeyDMCVSOHOJOUDTR-NRFANRHFSA-N
MW423.51 g/mol
LogP4.03
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 41119333) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID41119333
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC Name(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H22FN3O2S/c24-18-8-10-19(11-9-18)25-22(28)21(17-5-2-1-3-6-17)26-12-14-27(15-13-26)23(29)20-7-4-16-30-20/h1-11,16,21H,12-15H2,(H,25,28)/t21-/m0/s1
InChIKeyDMCVSOHOJOUDTR-NRFANRHFSA-N
XLogP4.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 55543734
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 17459059
(2R)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 25481810
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697870
(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 95619276

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 41119333) is (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is DMCVSOHOJOUDTR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c24-18-8-10-19(11-9-18)25-22(28)21(17-5-2-1-3-6-17)26-12-14-27(15-13-26)23(29)20-7-4-16-30-20/h1-11,16,21H,12-15H2,(H,25,28)/t21-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 41119333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).