(2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

C23H26N3O4S2+ — CID 2399709

IUPAC(2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H25N3O4S2/c1-18(25-13-15-26(16-14-25)32(28,29)22-8-5-17-31-22)23(27)24-19-9-11-21(12-10-19)30-20-6-3-2-4-7-20/h2-12,17-18H,13-16H2,1H3,(H,24,27)/p+1/t18-/m1/s1
InChIKeyIKFSRSLQOWCGHG-GOSISDBHSA-O
MW472.61 g/mol
LogP2.46
Rot. Bonds7

About (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

(2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide (PubChem CID 2399709) has the molecular formula C23H26N3O4S2+ and a molecular weight of 472.61 g/mol. Its IUPAC name is (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
PubChem CID2399709
Molecular FormulaC23H26N3O4S2+
Molecular Weight472.61 g/mol
Exact Mass472.14
IUPAC Name(2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H25N3O4S2/c1-18(25-13-15-26(16-14-25)32(28,29)22-8-5-17-31-22)23(27)24-19-9-11-21(12-10-19)30-20-6-3-2-4-7-20/h2-12,17-18H,13-16H2,1H3,(H,24,27)/p+1/t18-/m1/s1
InChIKeyIKFSRSLQOWCGHG-GOSISDBHSA-O
XLogP2.46
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-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

(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2399708
(2S)-N-(3-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 8745319
(2S)-N-(3,4-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9492913
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9493902
(2R)-N-(3-acetylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 8745871
N-(4-phenoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 2502086
(2R)-N-(2-ethoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9492918
(2R)-N-(2,5-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9492843
(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250159
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320597
(2R)-N-(4-acetylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide
CID 8004143
N-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 3497946

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide (CID 2399709) is (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide is C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide?
The InChIKey is IKFSRSLQOWCGHG-GOSISDBHSA-O. The full InChI is InChI=1S/C23H25N3O4S2/c1-18(25-13-15-26(16-14-25)32(28,29)22-8-5-17-31-22)23(27)24-19-9-11-21(12-10-19)30-20-6-3-2-4-7-20/h2-12,17-18H,13-16H2,1H3,(H,24,27)/p+1/t18-/m1/s1.
What are the key properties of (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide?
(2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide has a molecular weight of 472.61 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide is sourced from PubChem (CID 2399709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).