(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide

C23H31FN4O3S — CID 55938683

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C23H31FN4O3S/c1-18(26-32(30,31)22-12-7-6-11-20(22)24)23(29)25-13-8-14-28-16-15-27(2)17-21(28)19-9-4-3-5-10-19/h3-7,9-12,18,21,26H,8,13-17H2,1-2H3,(H,25,29)/t18-,21?/m0/s1
InChIKeyFROZZUYGEIKFQL-YMXDCFFPSA-N
MW462.59 g/mol
LogP1.99
Rot. Bonds9

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 55938683) has the molecular formula C23H31FN4O3S and a molecular weight of 462.59 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID55938683
Molecular FormulaC23H31FN4O3S
Molecular Weight462.59 g/mol
Exact Mass462.21
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C23H31FN4O3S/c1-18(26-32(30,31)22-12-7-6-11-20(22)24)23(29)25-13-8-14-28-16-15-27(2)17-21(28)19-9-4-3-5-10-19/h3-7,9-12,18,21,26H,8,13-17H2,1-2H3,(H,25,29)/t18-,21?/m0/s1
InChIKeyFROZZUYGEIKFQL-YMXDCFFPSA-N
XLogP1.99
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
2-chloro-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-5-methylsulfanylbenzamide
CID 42957275
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
(2R)-N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 124810432
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
1-ethyl-3-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178101
2,2-difluoro-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-morpholin-4-yl-3-oxopropanamide
CID 124885878
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide (CID 55938683) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCN1CCN(C)CC1c1ccccc1.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is FROZZUYGEIKFQL-YMXDCFFPSA-N. The full InChI is InChI=1S/C23H31FN4O3S/c1-18(26-32(30,31)22-12-7-6-11-20(22)24)23(29)25-13-8-14-28-16-15-27(2)17-21(28)19-9-4-3-5-10-19/h3-7,9-12,18,21,26H,8,13-17H2,1-2H3,(H,25,29)/t18-,21?/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 462.59 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 55938683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).