3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide

C14H13N3O5S — CID 8842702

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C14H13N3O5S/c1-7-13(8(2)22-16-7)23(19,20)17-11-9-5-3-4-6-10(9)21-12(11)14(15)18/h3-6,17H,1-2H3,(H2,15,18)
InChIKeyJFXIQYRWQZLBGN-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.94
Rot. Bonds4

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide (PubChem CID 8842702) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide
PubChem CID8842702
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C14H13N3O5S/c1-7-13(8(2)22-16-7)23(19,20)17-11-9-5-3-4-6-10(9)21-12(11)14(15)18/h3-6,17H,1-2H3,(H2,15,18)
InChIKeyJFXIQYRWQZLBGN-UHFFFAOYSA-N
XLogP1.94
TPSA128.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,3-dichlorophenyl)sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842675
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842704
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17490159
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 43980597
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-6-methylbenzenecarbothioamide
CID 107799090
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113392334
N-[2-(furan-2-carbonyl)-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2465499

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide (CID 8842702) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide is Cc1noc(C)c1S(=O)(=O)Nc1c(C(N)=O)oc2ccccc12.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide?
The InChIKey is JFXIQYRWQZLBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-7-13(8(2)22-16-7)23(19,20)17-11-9-5-3-4-6-10(9)21-12(11)14(15)18/h3-6,17H,1-2H3,(H2,15,18).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8842702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).