N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide

C19H19FN2O4S — CID 27034051

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O4S/c1-3-11-21-27(24,25)18-6-4-5-15(14-18)19(23)22(2)12-13-26-17-9-7-16(20)8-10-17/h1,4-10,14,21H,11-13H2,2H3
InChIKeyNIWALGMURUHNRM-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.89
Rot. Bonds8

About N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide

N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 27034051) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID27034051
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O4S/c1-3-11-21-27(24,25)18-6-4-5-15(14-18)19(23)22(2)12-13-26-17-9-7-16(20)8-10-17/h1,4-10,14,21H,11-13H2,2H3
InChIKeyNIWALGMURUHNRM-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 51270481
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551386
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 55348807
N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 134008758
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26994635
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551118
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26960465
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38579697

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide (CID 27034051) is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is NIWALGMURUHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-3-11-21-27(24,25)18-6-4-5-15(14-18)19(23)22(2)12-13-26-17-9-7-16(20)8-10-17/h1,4-10,14,21H,11-13H2,2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide?
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 390.44 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 27034051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).