ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate

C17H16N2O8S — CID 108782911

IUPACethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)oc(C)c1C(C)=O
InChIInChI=1S/C17H16N2O8S/c1-4-25-16(21)14-13(8(2)20)9(3)26-15(14)19-28(23,24)10-5-6-11-12(7-10)27-17(22)18-11/h5-7,19H,4H2,1-3H3,(H,18,22)
InChIKeyNMCBMHHTACPBNF-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.20
Rot. Bonds6

About ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate

ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate (PubChem CID 108782911) has the molecular formula C17H16N2O8S and a molecular weight of 408.39 g/mol. Its IUPAC name is ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate
PubChem CID108782911
Molecular FormulaC17H16N2O8S
Molecular Weight408.39 g/mol
Exact Mass408.06
IUPAC Nameethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)oc(C)c1C(C)=O
InChIInChI=1S/C17H16N2O8S/c1-4-25-16(21)14-13(8(2)20)9(3)26-15(14)19-28(23,24)10-5-6-11-12(7-10)27-17(22)18-11/h5-7,19H,4H2,1-3H3,(H,18,22)
InChIKeyNMCBMHHTACPBNF-UHFFFAOYSA-N
XLogP2.20
TPSA148.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 94109831
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84563272
4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782861
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 134055659
4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide
CID 108782851
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 82155470
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
ethyl 5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 15993511
N-(4-methoxyphenyl)-4-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 20949427
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110756975

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate (CID 108782911) is ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate is CCOC(=O)c1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate?
The InChIKey is NMCBMHHTACPBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O8S/c1-4-25-16(21)14-13(8(2)20)9(3)26-15(14)19-28(23,24)10-5-6-11-12(7-10)27-17(22)18-11/h5-7,19H,4H2,1-3H3,(H,18,22).
What are the key properties of ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate?
ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate has a molecular weight of 408.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]furan-3-carboxylate is sourced from PubChem (CID 108782911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).