N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H18N2O4S — CID 18089481

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H18N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)23-16/h1-8,16H,9-11H2,(H,19,20)(H2,18,21,22)
InChIKeyYYIWSRXNZJEDHJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.00
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18089481) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID18089481
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H18N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)23-16/h1-8,16H,9-11H2,(H,19,20)(H2,18,21,22)
InChIKeyYYIWSRXNZJEDHJ-UHFFFAOYSA-N
XLogP1.00
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792440
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47153707
(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39996118
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26015643
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2120588
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
(2R)-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9403274

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 18089481) is N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2Cc3ccccc3O2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is YYIWSRXNZJEDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)23-16/h1-8,16H,9-11H2,(H,19,20)(H2,18,21,22).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18089481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).