N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide

C19H23FN2O4S — CID 134045496

IUPACN-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N(C)C(C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H23FN2O4S/c1-14(15-7-9-17(20)10-8-15)22(2)19(23)16-5-4-6-18(13-16)27(24,25)21-11-12-26-3/h4-10,13-14,21H,11-12H2,1-3H3
InChIKeyQTJKCHCDTHAPCR-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.58
Rot. Bonds8

About N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide

N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide (PubChem CID 134045496) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
PubChem CID134045496
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N(C)C(C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H23FN2O4S/c1-14(15-7-9-17(20)10-8-15)22(2)19(23)16-5-4-6-18(13-16)27(24,25)21-11-12-26-3/h4-10,13-14,21H,11-12H2,1-3H3
InChIKeyQTJKCHCDTHAPCR-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 46647625
N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 119657426
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 55579772
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55652546
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide (CID 134045496) is N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide is COCCNS(=O)(=O)c1cccc(C(=O)N(C)C(C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The InChIKey is QTJKCHCDTHAPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-14(15-7-9-17(20)10-8-15)22(2)19(23)16-5-4-6-18(13-16)27(24,25)21-11-12-26-3/h4-10,13-14,21H,11-12H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide has a molecular weight of 394.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 134045496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).