2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

C19H19NO6S — CID 651741

IUPAC2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
SMILESCOCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C19H19NO6S/c1-13-18(19(21)25-11-10-24-2)16-12-14(8-9-17(16)26-13)20-27(22,23)15-6-4-3-5-7-15/h3-9,12,20H,10-11H2,1-2H3
InChIKeyZLWPZLPINZPDIK-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.35
Rot. Bonds7

About 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 651741) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
PubChem CID651741
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
SMILESCOCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C19H19NO6S/c1-13-18(19(21)25-11-10-24-2)16-12-14(8-9-17(16)26-13)20-27(22,23)15-6-4-3-5-7-15/h3-9,12,20H,10-11H2,1-2H3
InChIKeyZLWPZLPINZPDIK-UHFFFAOYSA-N
XLogP3.35
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methylbenzenesulfonamide
CID 789221
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 1094884
Ethyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 2486239
Phenyl (3-acetyl-2-methyl-1-benzofuran-5-yl)[(4-tert-butylphenyl)sulfonyl]carbamate
CID 1183879
phenyl N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)carbamate
CID 1725261
Benzyl 2-methyl-5-{[(4-methylphenyl)sulfonyl]amino}naphtho[1,2-b]furan-3-carboxylate
CID 2486113
Methyl 2-(methoxymethyl)-5-{[(4-methylphenyl)sulfonyl]amino}-1-benzofuran-3-carboxylate
CID 2910878
Ethyl 5-{[(4-methoxyphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 9541625
Propyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[1,2-B]furan-3-carboxylate
CID 15991192
5-Amino-2-benzofuransulfonamide
CID 44377611
N-[2-butyl-3-{4-[(3-amino)propoxy]benzoyl}-1-benzofuran-5-yl]methanesulfonamide
CID 10095002
Phenol-dronedarone
CID 70653166

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate (CID 651741) is 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate is COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is ZLWPZLPINZPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-13-18(19(21)25-11-10-24-2)16-12-14(8-9-17(16)26-13)20-27(22,23)15-6-4-3-5-7-15/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate?
2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 651741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).