(2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C23H28N2O6S — CID 41236905

IUPAC(2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28N2O6S/c1-4-30-20-9-8-17(14-21(20)32(27,28)25-10-12-29-13-11-25)24-23(26)19-7-5-6-18-15(2)16(3)31-22(18)19/h5-9,14-16H,4,10-13H2,1-3H3,(H,24,26)/t15-,16+/m0/s1
InChIKeyJUDMLKOWXUXOIH-JKSUJKDBSA-N
MW460.55 g/mol
LogP3.24
Rot. Bonds6

About (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

(2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 41236905) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID41236905
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name(2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28N2O6S/c1-4-30-20-9-8-17(14-21(20)32(27,28)25-10-12-29-13-11-25)24-23(26)19-7-5-6-18-15(2)16(3)31-22(18)19/h5-9,14-16H,4,10-13H2,1-3H3,(H,24,26)/t15-,16+/m0/s1
InChIKeyJUDMLKOWXUXOIH-JKSUJKDBSA-N
XLogP3.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide with MolForge

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Related Compounds

N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
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CID 55395846
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-2-phenylpropanamide
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N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55645447
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 24590368
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119693225
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 41236905) is (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is CCOc1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is JUDMLKOWXUXOIH-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-4-30-20-9-8-17(14-21(20)32(27,28)25-10-12-29-13-11-25)24-23(26)19-7-5-6-18-15(2)16(3)31-22(18)19/h5-9,14-16H,4,10-13H2,1-3H3,(H,24,26)/t15-,16+/m0/s1.
What are the key properties of (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
(2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 41236905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).