N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide

C20H24FN3O3S — CID 47801652

IUPACN-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1F
InChIInChI=1S/C20H24FN3O3S/c1-15-5-6-17(13-19(15)21)22-20(25)14-28(26,27)23-16-7-9-18(10-8-16)24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25)
InChIKeyDPZXOZPMXSXNSH-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.50
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide

N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide (PubChem CID 47801652) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
PubChem CID47801652
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1F
InChIInChI=1S/C20H24FN3O3S/c1-15-5-6-17(13-19(15)21)22-20(25)14-28(26,27)23-16-7-9-18(10-8-16)24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25)
InChIKeyDPZXOZPMXSXNSH-UHFFFAOYSA-N
XLogP3.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47801133
N-(2-methoxyethyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47800835
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-fluoro-4-methylbenzoate
CID 40678642
2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
CID 51127345
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 7658936
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 55573308

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide (CID 47801652) is N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide is Cc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide?
The InChIKey is DPZXOZPMXSXNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-15-5-6-17(13-19(15)21)22-20(25)14-28(26,27)23-16-7-9-18(10-8-16)24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide is sourced from PubChem (CID 47801652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).