4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide

C18H21FN2O4S — CID 42572042

IUPAC4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCCCOc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-2-21-26(23,24)15-10-8-14(9-11-15)18(22)20-12-5-13-25-17-7-4-3-6-16(17)19/h3-4,6-11,21H,2,5,12-13H2,1H3,(H,20,22)
InChIKeyDIRLRZMWWBNIEM-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.32
Rot. Bonds9

About 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide

4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide (PubChem CID 42572042) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
PubChem CID42572042
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCCCOc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-2-21-26(23,24)15-10-8-14(9-11-15)18(22)20-12-5-13-25-17-7-4-3-6-16(17)19/h3-4,6-11,21H,2,5,12-13H2,1H3,(H,20,22)
InChIKeyDIRLRZMWWBNIEM-UHFFFAOYSA-N
XLogP2.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.32
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

4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 9450706
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
CID 109060818
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 24517742
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide?
The IUPAC name of 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide (CID 42572042) is 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide.
What is the SMILES notation for 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide?
The canonical SMILES for 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide is CCNS(=O)(=O)c1ccc(C(=O)NCCCOc2ccccc2F)cc1.
What is the InChIKey of 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide?
The InChIKey is DIRLRZMWWBNIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-2-21-26(23,24)15-10-8-14(9-11-15)18(22)20-12-5-13-25-17-7-4-3-6-16(17)19/h3-4,6-11,21H,2,5,12-13H2,1H3,(H,20,22).
What are the key properties of 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide?
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide has a molecular weight of 380.44 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide is sourced from PubChem (CID 42572042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).