N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide

C17H22N2O4S — CID 99836810

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H22N2O4S/c1-11-14(12(2)23-18-11)10-19(5)24(20,21)15-8-6-7-13-9-17(3,4)22-16(13)15/h6-8H,9-10H2,1-5H3
InChIKeyIOEIIQMXZLMUFK-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.83
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide (PubChem CID 99836810) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide
PubChem CID99836810
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H22N2O4S/c1-11-14(12(2)23-18-11)10-19(5)24(20,21)15-8-6-7-13-9-17(3,4)22-16(13)15/h6-8H,9-10H2,1-5H3
InChIKeyIOEIIQMXZLMUFK-UHFFFAOYSA-N
XLogP2.83
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 110870140
N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide
CID 126799663
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 134100209
(2,2-dimethyl-3H-1-benzofuran-7-yl) 3,5-dimethyl-1,2-oxazole-4-sulfonate
CID 26948982
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110870137
5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 61115628
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide
CID 110870133
methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate
CID 47027463
N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide
CID 99836946
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79233745
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39285294
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 91829294

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide (CID 99836810) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide is Cc1noc(C)c1CN(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide?
The InChIKey is IOEIIQMXZLMUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11-14(12(2)23-18-11)10-19(5)24(20,21)15-8-6-7-13-9-17(3,4)22-16(13)15/h6-8H,9-10H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 99836810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).