N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H18N2O4S — CID 134100209

IUPACN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H18N2O4S/c1-9-14(10(2)21-16-9)22(18,19)17-12-7-5-6-11-8-15(3,4)20-13(11)12/h5-7,17H,8H2,1-4H3
InChIKeyQJBDIAKBZULOGV-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.81
Rot. Bonds3

About N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 134100209) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID134100209
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H18N2O4S/c1-9-14(10(2)21-16-9)22(18,19)17-12-7-5-6-11-8-15(3,4)20-13(11)12/h5-7,17H,8H2,1-4H3
InChIKeyQJBDIAKBZULOGV-UHFFFAOYSA-N
XLogP2.81
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-7-yl) 3,5-dimethyl-1,2-oxazole-4-sulfonate
CID 26948982
N-(3-iodo-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113368492
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-6-methylbenzenecarbothioamide
CID 107799090
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide
CID 99836810
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-6-fluorobenzenecarbothioamide
CID 43581042
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39285294
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90626953
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986818

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 134100209) is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QJBDIAKBZULOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-9-14(10(2)21-16-9)22(18,19)17-12-7-5-6-11-8-15(3,4)20-13(11)12/h5-7,17H,8H2,1-4H3.
What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 134100209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).