(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate

C18H20N4O6S — CID 54505740

IUPAC(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate
SMILESCN(C(=O)Oc1cccc2c1OC(C)(C)C2)C(=O)N(c1ccccn1)S(N)(=O)=O
InChIInChI=1S/C18H20N4O6S/c1-18(2)11-12-7-6-8-13(15(12)28-18)27-17(24)21(3)16(23)22(29(19,25)26)14-9-4-5-10-20-14/h4-10H,11H2,1-3H3,(H2,19,25,26)
InChIKeyYFOMGYXRWNWXTE-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.06
Rot. Bonds3

About (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate (PubChem CID 54505740) has the molecular formula C18H20N4O6S and a molecular weight of 420.45 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate
PubChem CID54505740
Molecular FormulaC18H20N4O6S
Molecular Weight420.45 g/mol
Exact Mass420.11
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate
SMILESCN(C(=O)Oc1cccc2c1OC(C)(C)C2)C(=O)N(c1ccccn1)S(N)(=O)=O
InChIInChI=1S/C18H20N4O6S/c1-18(2)11-12-7-6-8-13(15(12)28-18)27-17(24)21(3)16(23)22(29(19,25)26)14-9-4-5-10-20-14/h4-10H,11H2,1-3H3,(H2,19,25,26)
InChIKeyYFOMGYXRWNWXTE-UHFFFAOYSA-N
XLogP2.06
TPSA132.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[methoxy(sulfamoyl)carbamoyl]-N-methylcarbamate
CID 54543729
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-carbonochloridoyl-N-methylcarbamate
CID 13037458
(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
ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-phenoxycarbonylamino]acetate
CID 3068002
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29468555
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) N-[diphenoxyphosphoryl(methyl)amino]sulfanyl-N-methylcarbamate
CID 54543246
N-(6-chloropyridazin-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylacetamide
CID 151909001
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
(2,2-dimethyl-3H-1-benzofuran-7-yl) 4-bromobenzoate
CID 2402597

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate (CID 54505740) is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate is CN(C(=O)Oc1cccc2c1OC(C)(C)C2)C(=O)N(c1ccccn1)S(N)(=O)=O.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate?
The InChIKey is YFOMGYXRWNWXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6S/c1-18(2)11-12-7-6-8-13(15(12)28-18)27-17(24)21(3)16(23)22(29(19,25)26)14-9-4-5-10-20-14/h4-10H,11H2,1-3H3,(H2,19,25,26).
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate?
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate has a molecular weight of 420.45 g/mol, XLogP of 2.06, 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-methyl-N-[pyridin-2-yl(sulfamoyl)carbamoyl]carbamate is sourced from PubChem (CID 54505740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).