N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide

C14H17N3O5S — CID 31815213

IUPACN-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1NC(C)=O
InChIInChI=1S/C14H17N3O5S/c1-8-14(9(2)22-16-8)23(19,20)17-11-5-6-13(21-4)12(7-11)15-10(3)18/h5-7,17H,1-4H3,(H,15,18)
InChIKeyPTBIQQKAZUGOBX-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.06
Rot. Bonds5

About N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide

N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide (PubChem CID 31815213) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide
PubChem CID31815213
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC NameN-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1NC(C)=O
InChIInChI=1S/C14H17N3O5S/c1-8-14(9(2)22-16-8)23(19,20)17-11-5-6-13(21-4)12(7-11)15-10(3)18/h5-7,17H,1-4H3,(H,15,18)
InChIKeyPTBIQQKAZUGOBX-UHFFFAOYSA-N
XLogP2.06
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 27301181
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26982777
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-fluorobenzoic acid
CID 103847489
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39853829
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
N-[2-methoxy-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 24580787
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
N-(3-acetamido-4-methoxyphenyl)-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 24666750
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide (CID 31815213) is N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide is COc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1NC(C)=O.
What is the InChIKey of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide?
The InChIKey is PTBIQQKAZUGOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-8-14(9(2)22-16-8)23(19,20)17-11-5-6-13(21-4)12(7-11)15-10(3)18/h5-7,17H,1-4H3,(H,15,18).
What are the key properties of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide?
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 31815213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).