3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide

C24H33FN4O3S — CID 55662298

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H33FN4O3S/c1-20-5-4-6-22(19-20)29-17-15-28(16-18-29)14-3-2-12-26-24(30)11-13-27-33(31,32)23-9-7-21(25)8-10-23/h4-10,19,27H,2-3,11-18H2,1H3,(H,26,30)
InChIKeyRCHSQXKIGYMCGE-UHFFFAOYSA-N
MW476.62 g/mol
LogP2.52
Rot. Bonds11

About 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide (PubChem CID 55662298) has the molecular formula C24H33FN4O3S and a molecular weight of 476.62 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
PubChem CID55662298
Molecular FormulaC24H33FN4O3S
Molecular Weight476.62 g/mol
Exact Mass476.23
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H33FN4O3S/c1-20-5-4-6-22(19-20)29-17-15-28(16-18-29)14-3-2-12-26-24(30)11-13-27-33(31,32)23-9-7-21(25)8-10-23/h4-10,19,27H,2-3,11-18H2,1H3,(H,26,30)
InChIKeyRCHSQXKIGYMCGE-UHFFFAOYSA-N
XLogP2.52
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 52.52
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

3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266845
4-methoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266899
2-methyl-N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 55662153
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 122176670
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
CID 55624420
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624611
N-[3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 38440723
4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 31688731
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
CID 42959856

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide (CID 55662298) is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide is Cc1cccc(N2CCN(CCCCNC(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide?
The InChIKey is RCHSQXKIGYMCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O3S/c1-20-5-4-6-22(19-20)29-17-15-28(16-18-29)14-3-2-12-26-24(30)11-13-27-33(31,32)23-9-7-21(25)8-10-23/h4-10,19,27H,2-3,11-18H2,1H3,(H,26,30).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide has a molecular weight of 476.62 g/mol, XLogP of 2.52, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide is sourced from PubChem (CID 55662298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).