5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H21ClN2O5S — CID 166209498

IUPAC5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOCCNS(=O)(=O)c1cccc(CNC(=O)C2Cc3cc(Cl)ccc3O2)c1
InChIInChI=1S/C19H21ClN2O5S/c1-26-8-7-22-28(24,25)16-4-2-3-13(9-16)12-21-19(23)18-11-14-10-15(20)5-6-17(14)27-18/h2-6,9-10,18,22H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyVEYJDSWKYLSFFU-UHFFFAOYSA-N
MW424.91 g/mol
LogP1.88
Rot. Bonds8

About 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 166209498) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID166209498
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOCCNS(=O)(=O)c1cccc(CNC(=O)C2Cc3cc(Cl)ccc3O2)c1
InChIInChI=1S/C19H21ClN2O5S/c1-26-8-7-22-28(24,25)16-4-2-3-13(9-16)12-21-19(23)18-11-14-10-15(20)5-6-17(14)27-18/h2-6,9-10,18,22H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyVEYJDSWKYLSFFU-UHFFFAOYSA-N
XLogP1.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47043735
(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006574
3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
CID 119324497
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24639720
1-[2-(3-chlorophenyl)ethyl]-3-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111831142
3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylbutanamide;hydrochloride
CID 120500865
(2S)-5-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41267418
(2R)-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9403274
5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47123343

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 166209498) is 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COCCNS(=O)(=O)c1cccc(CNC(=O)C2Cc3cc(Cl)ccc3O2)c1.
What is the InChIKey of 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is VEYJDSWKYLSFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-26-8-7-22-28(24,25)16-4-2-3-13(9-16)12-21-19(23)18-11-14-10-15(20)5-6-17(14)27-18/h2-6,9-10,18,22H,7-8,11-12H2,1H3,(H,21,23).
What are the key properties of 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166209498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).