propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

C20H20FNO5S — CID 7312242

IUPACpropan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)OC(C)C)c2c1
InChIInChI=1S/C20H20FNO5S/c1-11(2)26-20(23)19-13(4)27-17-7-6-15(10-16(17)19)22-28(24,25)18-8-5-14(21)9-12(18)3/h5-11,22H,1-4H3
InChIKeyKDVCOWSSOVNKKV-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.55
Rot. Bonds5

About propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 7312242) has the molecular formula C20H20FNO5S and a molecular weight of 405.45 g/mol. Its IUPAC name is propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
PubChem CID7312242
Molecular FormulaC20H20FNO5S
Molecular Weight405.45 g/mol
Exact Mass405.10
IUPAC Namepropan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)OC(C)C)c2c1
InChIInChI=1S/C20H20FNO5S/c1-11(2)26-20(23)19-13(4)27-17-7-6-15(10-16(17)19)22-28(24,25)18-8-5-14(21)9-12(18)3/h5-11,22H,1-4H3
InChIKeyKDVCOWSSOVNKKV-UHFFFAOYSA-N
XLogP4.55
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371
propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 1079384
methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 1304159
propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 25039522
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25037862
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide
CID 118941613
N-[(8S)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 2133839
methyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 7113484
ethyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 4089737
ethyl 5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 15993511

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate (CID 7312242) is propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is KDVCOWSSOVNKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5S/c1-11(2)26-20(23)19-13(4)27-17-7-6-15(10-16(17)19)22-28(24,25)18-8-5-14(21)9-12(18)3/h5-11,22H,1-4H3.
What are the key properties of propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate?
propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 7312242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).