(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H16N2O5S — CID 9088486

IUPAC(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1S(N)(=O)=O
InChIInChI=1S/C16H16N2O5S/c1-22-13-7-6-11(9-15(13)24(17,20)21)18-16(19)14-8-10-4-2-3-5-12(10)23-14/h2-7,9,14H,8H2,1H3,(H,18,19)(H2,17,20,21)/t14-/m0/s1
InChIKeyPZASLRHYGCAMDF-AWEZNQCLSA-N
MW348.38 g/mol
LogP1.28
Rot. Bonds4

About (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9088486) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9088486
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1S(N)(=O)=O
InChIInChI=1S/C16H16N2O5S/c1-22-13-7-6-11(9-15(13)24(17,20)21)18-16(19)14-8-10-4-2-3-5-12(10)23-14/h2-7,9,14H,8H2,1H3,(H,18,19)(H2,17,20,21)/t14-/m0/s1
InChIKeyPZASLRHYGCAMDF-AWEZNQCLSA-N
XLogP1.28
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968
(2S)-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083111
N-(3-cyclopentyloxy-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55591626
(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8531124
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24529970
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55642482
(2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091567
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26708035
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9088486) is (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1S(N)(=O)=O.
What is the InChIKey of (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PZASLRHYGCAMDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-22-13-7-6-11(9-15(13)24(17,20)21)18-16(19)14-8-10-4-2-3-5-12(10)23-14/h2-7,9,14H,8H2,1H3,(H,18,19)(H2,17,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9088486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).