(2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H18N2O5S — CID 9074101

IUPAC(2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C20H18N2O5S/c23-20(19-12-14-4-1-2-6-18(14)27-19)22-15-7-9-17(10-8-15)28(24,25)21-13-16-5-3-11-26-16/h1-11,19,21H,12-13H2,(H,22,23)/t19-/m1/s1
InChIKeyKTNHDAYMQZNNGI-LJQANCHMSA-N
MW398.44 g/mol
LogP2.70
Rot. Bonds6

About (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9074101) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9074101
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name(2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C20H18N2O5S/c23-20(19-12-14-4-1-2-6-18(14)27-19)22-15-7-9-17(10-8-15)28(24,25)21-13-16-5-3-11-26-16/h1-11,19,21H,12-13H2,(H,22,23)/t19-/m1/s1
InChIKeyKTNHDAYMQZNNGI-LJQANCHMSA-N
XLogP2.70
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24639720
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17171044
(2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006346
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9074101) is (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is KTNHDAYMQZNNGI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N2O5S/c23-20(19-12-14-4-1-2-6-18(14)27-19)22-15-7-9-17(10-8-15)28(24,25)21-13-16-5-3-11-26-16/h1-11,19,21H,12-13H2,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9074101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).