N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

C26H31FN4O3S2 — CID 22422656

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C26H31FN4O3S2/c27-22-10-4-5-11-24(22)31-17-15-30(16-18-31)14-7-13-28-26(32)23(20-21-8-2-1-3-9-21)29-36(33,34)25-12-6-19-35-25/h1-6,8-12,19,23,29H,7,13-18,20H2,(H,28,32)
InChIKeySFPGUBFOHJZRNL-UHFFFAOYSA-N
MW530.69 g/mol
LogP3.11
Rot. Bonds11

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 22422656) has the molecular formula C26H31FN4O3S2 and a molecular weight of 530.69 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID22422656
Molecular FormulaC26H31FN4O3S2
Molecular Weight530.69 g/mol
Exact Mass530.18
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C26H31FN4O3S2/c27-22-10-4-5-11-24(22)31-17-15-30(16-18-31)14-7-13-28-26(32)23(20-21-8-2-1-3-9-21)29-36(33,34)25-12-6-19-35-25/h1-6,8-12,19,23,29H,7,13-18,20H2,(H,28,32)
InChIKeySFPGUBFOHJZRNL-UHFFFAOYSA-N
XLogP3.11
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.69
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
CID 22422642
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827
(2S)-3-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)butanamide
CID 92712119
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 56523305
N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46361169
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422631
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119705
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(3-methylphenyl)acetamide
CID 42224298
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N-[1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55342022

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (CID 22422656) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is SFPGUBFOHJZRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3S2/c27-22-10-4-5-11-24(22)31-17-15-30(16-18-31)14-7-13-28-26(32)23(20-21-8-2-1-3-9-21)29-36(33,34)25-12-6-19-35-25/h1-6,8-12,19,23,29H,7,13-18,20H2,(H,28,32).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 530.69 g/mol, XLogP of 3.11, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 22422656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).