(2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C21H28N4O3S — CID 40715955

IUPAC(2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H28N4O3S/c1-17(24-13-15-25(16-14-24)19-5-3-2-4-6-19)21(26)23-12-11-18-7-9-20(10-8-18)29(22,27)28/h2-10,17H,11-16H2,1H3,(H,23,26)(H2,22,27,28)/t17-/m1/s1
InChIKeyCANZOANHSZILBX-QGZVFWFLSA-N
MW416.55 g/mol
LogP1.20
Rot. Bonds7

About (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

(2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 40715955) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID40715955
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name(2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H28N4O3S/c1-17(24-13-15-25(16-14-24)19-5-3-2-4-6-19)21(26)23-12-11-18-7-9-20(10-8-18)29(22,27)28/h2-10,17H,11-16H2,1H3,(H,23,26)(H2,22,27,28)/t17-/m1/s1
InChIKeyCANZOANHSZILBX-QGZVFWFLSA-N
XLogP1.20
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 30721204
(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
CID 9431113
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
(2S)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 18778138
2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 155899837
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 40715955) is (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is CANZOANHSZILBX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-17(24-13-15-25(16-14-24)19-5-3-2-4-6-19)21(26)23-12-11-18-7-9-20(10-8-18)29(22,27)28/h2-10,17H,11-16H2,1H3,(H,23,26)(H2,22,27,28)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
(2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 416.55 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-phenylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 40715955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).