N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide

C19H22FNO4S — CID 34161635

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCC1(C)Cc2cccc(OCCNS(=O)(=O)Cc3ccc(F)cc3)c2O1
InChIInChI=1S/C19H22FNO4S/c1-19(2)12-15-4-3-5-17(18(15)25-19)24-11-10-21-26(22,23)13-14-6-8-16(20)9-7-14/h3-9,21H,10-13H2,1-2H3
InChIKeyLJNPRYJDJWJMBW-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.04
Rot. Bonds7

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 34161635) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID34161635
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCC1(C)Cc2cccc(OCCNS(=O)(=O)Cc3ccc(F)cc3)c2O1
InChIInChI=1S/C19H22FNO4S/c1-19(2)12-15-4-3-5-17(18(15)25-19)24-11-10-21-26(22,23)13-14-6-8-16(20)9-7-14/h3-9,21H,10-13H2,1-2H3
InChIKeyLJNPRYJDJWJMBW-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1-sulfonamide
CID 16884162
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
1-(2,5-difluorophenyl)-N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]methanesulfonamide
CID 90578758
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate
CID 171378487
4-(acetamidomethyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 39284743
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31824874
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55637211
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 32600877
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]propane-2-sulfonamide
CID 90578736
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55614893

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide (CID 34161635) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide is CC1(C)Cc2cccc(OCCNS(=O)(=O)Cc3ccc(F)cc3)c2O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is LJNPRYJDJWJMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-19(2)12-15-4-3-5-17(18(15)25-19)24-11-10-21-26(22,23)13-14-6-8-16(20)9-7-14/h3-9,21H,10-13H2,1-2H3.
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 379.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 34161635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).