(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate

C14H19N3O7S — CID 54543729

IUPAC(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate
SMILESCON(C(=O)N(C)C(=O)Oc1cccc2c1OC(C)(C)C2)S(N)(=O)=O
InChIInChI=1S/C14H19N3O7S/c1-14(2)8-9-6-5-7-10(11(9)24-14)23-13(19)16(3)12(18)17(22-4)25(15,20)21/h5-7H,8H2,1-4H3,(H2,15,20,21)
InChIKeyZFBQETCEAPBDFV-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.02
Rot. Bonds3

About (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate (PubChem CID 54543729) has the molecular formula C14H19N3O7S and a molecular weight of 373.39 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate
PubChem CID54543729
Molecular FormulaC14H19N3O7S
Molecular Weight373.39 g/mol
Exact Mass373.09
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate
SMILESCON(C(=O)N(C)C(=O)Oc1cccc2c1OC(C)(C)C2)S(N)(=O)=O
InChIInChI=1S/C14H19N3O7S/c1-14(2)8-9-6-5-7-10(11(9)24-14)23-13(19)16(3)12(18)17(22-4)25(15,20)21/h5-7H,8H2,1-4H3,(H2,15,20,21)
InChIKeyZFBQETCEAPBDFV-UHFFFAOYSA-N
XLogP1.02
TPSA128.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate
CID 54505740
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-carbonochloridoyl-N-methylcarbamate
CID 13037458
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propanoate
CID 94156900
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamate
CID 13160072
ethyl 2-(N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylanilino)acetate
CID 3067960
carbamic acid;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate
CID 87434791
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(4-tert-butyl-2-methylphenyl)sulfanyl-N-methylcarbamate
CID 23620789
(2,2-dimethyl-3H-1-benzofuran-7-yl) 4-bromobenzoate
CID 2402597
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(1,3-benzodioxol-5-ylsulfanyl)-N-methylcarbamate
CID 23620785
ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-octylamino]acetate
CID 3067974
ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-phenoxycarbonylamino]acetate
CID 3068002
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[diphenoxyphosphoryl(methyl)amino]sulfanyl-N-methylcarbamate
CID 54543246

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate (CID 54543729) is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate is CON(C(=O)N(C)C(=O)Oc1cccc2c1OC(C)(C)C2)S(N)(=O)=O.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate?
The InChIKey is ZFBQETCEAPBDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O7S/c1-14(2)8-9-6-5-7-10(11(9)24-14)23-13(19)16(3)12(18)17(22-4)25(15,20)21/h5-7H,8H2,1-4H3,(H2,15,20,21).
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate?
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate has a molecular weight of 373.39 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate is sourced from PubChem (CID 54543729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).