propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate

C17H17NO5S2 — CID 1079384

IUPACpropan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
SMILESCc1oc2ccc(NS(=O)(=O)c3cccs3)cc2c1C(=O)OC(C)C
InChIInChI=1S/C17H17NO5S2/c1-10(2)22-17(19)16-11(3)23-14-7-6-12(9-13(14)16)18-25(20,21)15-5-4-8-24-15/h4-10,18H,1-3H3
InChIKeyPQYCGATYVFFNJO-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.17
Rot. Bonds5

About propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate

propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate (PubChem CID 1079384) has the molecular formula C17H17NO5S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
PubChem CID1079384
Molecular FormulaC17H17NO5S2
Molecular Weight379.46 g/mol
Exact Mass379.05
IUPAC Namepropan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
SMILESCc1oc2ccc(NS(=O)(=O)c3cccs3)cc2c1C(=O)OC(C)C
InChIInChI=1S/C17H17NO5S2/c1-10(2)22-17(19)16-11(3)23-14-7-6-12(9-13(14)16)18-25(20,21)15-5-4-8-24-15/h4-10,18H,1-3H3
InChIKeyPQYCGATYVFFNJO-UHFFFAOYSA-N
XLogP4.17
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7312242
propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371
propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
CID 25043109
methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 7339253
2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25037862
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2450054
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 110777493
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 1304958

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate?
The IUPAC name of propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate (CID 1079384) is propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate?
The canonical SMILES for propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate is Cc1oc2ccc(NS(=O)(=O)c3cccs3)cc2c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate?
The InChIKey is PQYCGATYVFFNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S2/c1-10(2)22-17(19)16-11(3)23-14-7-6-12(9-13(14)16)18-25(20,21)15-5-4-8-24-15/h4-10,18H,1-3H3.
What are the key properties of propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate?
propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 1079384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).