N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H20N2O4S — CID 55961284

IUPACN-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2O1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H20N2O4S/c1-12(14-8-4-5-9-15(14)20-25(2,22)23)19-18(21)17-11-13-7-3-6-10-16(13)24-17/h3-10,12,17,20H,11H2,1-2H3,(H,19,21)
InChIKeyJTRKNXZBIITRIN-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.24
Rot. Bonds5

About N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55961284) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55961284
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2O1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H20N2O4S/c1-12(14-8-4-5-9-15(14)20-25(2,22)23)19-18(21)17-11-13-7-3-6-10-16(13)24-17/h3-10,12,17,20H,11H2,1-2H3,(H,19,21)
InChIKeyJTRKNXZBIITRIN-UHFFFAOYSA-N
XLogP2.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
(2S,5R)-5-(aminomethyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120788249
(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39996118
(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37462398
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006047
2-(furan-2-yl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide
CID 86852835
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
2-cyclopentyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide
CID 131960912

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55961284) is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC(NC(=O)C1Cc2ccccc2O1)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JTRKNXZBIITRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12(14-8-4-5-9-15(14)20-25(2,22)23)19-18(21)17-11-13-7-3-6-10-16(13)24-17/h3-10,12,17,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55961284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).