[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate

C29H23ClN2O7S — CID 4987416

IUPAC[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
SMILESCOc1cc2c(cc1NC(=O)C(C)OC(=O)c1ccc(S(=O)(=O)Nc3ccccc3Cl)cc1)oc1ccccc12
InChIInChI=1S/C29H23ClN2O7S/c1-17(28(33)31-24-16-26-21(15-27(24)37-2)20-7-3-6-10-25(20)39-26)38-29(34)18-11-13-19(14-12-18)40(35,36)32-23-9-5-4-8-22(23)30/h3-17,32H,1-2H3,(H,31,33)
InChIKeyQVVGHDYTBYTPRD-UHFFFAOYSA-N
MW579.03 g/mol
LogP6.23
Rot. Bonds8

About [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate

[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate (PubChem CID 4987416) has the molecular formula C29H23ClN2O7S and a molecular weight of 579.03 g/mol. Its IUPAC name is [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
PubChem CID4987416
Molecular FormulaC29H23ClN2O7S
Molecular Weight579.03 g/mol
Exact Mass578.09
IUPAC Name[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
SMILESCOc1cc2c(cc1NC(=O)C(C)OC(=O)c1ccc(S(=O)(=O)Nc3ccccc3Cl)cc1)oc1ccccc12
InChIInChI=1S/C29H23ClN2O7S/c1-17(28(33)31-24-16-26-21(15-27(24)37-2)20-7-3-6-10-25(20)39-26)38-29(34)18-11-13-19(14-12-18)40(35,36)32-23-9-5-4-8-22(23)30/h3-17,32H,1-2H3,(H,31,33)
InChIKeyQVVGHDYTBYTPRD-UHFFFAOYSA-N
XLogP6.23
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.03
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 4802218
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 7890835
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
CID 2543889
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 41152870
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783804
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 98383221
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2450054
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
N-(2-methoxydibenzofuran-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26667364
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 3996422
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate (CID 4987416) is [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate is COc1cc2c(cc1NC(=O)C(C)OC(=O)c1ccc(S(=O)(=O)Nc3ccccc3Cl)cc1)oc1ccccc12.
What is the InChIKey of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is QVVGHDYTBYTPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2O7S/c1-17(28(33)31-24-16-26-21(15-27(24)37-2)20-7-3-6-10-25(20)39-26)38-29(34)18-11-13-19(14-12-18)40(35,36)32-23-9-5-4-8-22(23)30/h3-17,32H,1-2H3,(H,31,33).
What are the key properties of [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate?
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 579.03 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 4987416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).