3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide

C18H28FN3O3S — CID 51221562

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCCCN1CCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H28FN3O3S/c1-15-5-2-3-13-22(15)14-4-11-20-18(23)10-12-21-26(24,25)17-8-6-16(19)7-9-17/h6-9,15,21H,2-5,10-14H2,1H3,(H,20,23)
InChIKeyWZUNYDMZPCCYSE-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.87
Rot. Bonds9

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

3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 51221562) has the molecular formula C18H28FN3O3S and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
PubChem CID51221562
Molecular FormulaC18H28FN3O3S
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCCCN1CCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H28FN3O3S/c1-15-5-2-3-13-22(15)14-4-11-20-18(23)10-12-21-26(24,25)17-8-6-16(19)7-9-17/h6-9,15,21H,2-5,10-14H2,1H3,(H,20,23)
InChIKeyWZUNYDMZPCCYSE-UHFFFAOYSA-N
XLogP1.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 55723525
2-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370825
4-[2-[(2R)-2-methylpiperidin-1-yl]ethylsulfamoyl]benzamide
CID 94182162
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 55713959
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
1-[2-(benzenesulfonamido)ethyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370199
4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 3835146
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
1-(4-fluorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 39965506
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472975
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
CID 92872084

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide (CID 51221562) is 3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide is CC1CCCCN1CCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is WZUNYDMZPCCYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O3S/c1-15-5-2-3-13-22(15)14-4-11-20-18(23)10-12-21-26(24,25)17-8-6-16(19)7-9-17/h6-9,15,21H,2-5,10-14H2,1H3,(H,20,23).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 51221562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).