N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide

C17H22BrN3O6S — CID 18754959

IUPACN-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide
SMILESCOC(C)OCN(c1onc(C)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1Br
InChIInChI=1S/C17H22BrN3O6S/c1-10-11(2)20-27-17(10)21(9-26-13(4)25-5)28(23,24)16-7-6-14(8-15(16)18)19-12(3)22/h6-8,13H,9H2,1-5H3,(H,19,22)
InChIKeyFJWLOMKOIQRFEE-UHFFFAOYSA-N
MW476.35 g/mol
LogP3.17
Rot. Bonds8

About N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide

N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide (PubChem CID 18754959) has the molecular formula C17H22BrN3O6S and a molecular weight of 476.35 g/mol. Its IUPAC name is N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide
PubChem CID18754959
Molecular FormulaC17H22BrN3O6S
Molecular Weight476.35 g/mol
Exact Mass475.04
IUPAC NameN-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide
SMILESCOC(C)OCN(c1onc(C)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1Br
InChIInChI=1S/C17H22BrN3O6S/c1-10-11(2)20-27-17(10)21(9-26-13(4)25-5)28(23,24)16-7-6-14(8-15(16)18)19-12(3)22/h6-8,13H,9H2,1-5H3,(H,19,22)
InChIKeyFJWLOMKOIQRFEE-UHFFFAOYSA-N
XLogP3.17
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 18754970
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(methoxymethyl)pyridine-3-sulfonamide
CID 166545076
2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 112602478
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethoxymethyl)-4-(hydroxymethyl)phenyl]-N-(methoxymethyl)benzenesulfonamide
CID 170353497
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 22103387
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-5-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 18754951
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[ethoxy(methoxy)methyl]-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 18754977
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731
3-[[4-(chloromethyl)-3-methyl-1,2-oxazol-5-yl]-(methoxymethyl)sulfamoyl]thiophene-2-carbonyl chloride
CID 163714496
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 114372486
N,3,4-trimethyl-N-propan-2-yl-1,2-oxazol-5-amine
CID 122645137

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide (CID 18754959) is N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide is COC(C)OCN(c1onc(C)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1Br.
What is the InChIKey of N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is FJWLOMKOIQRFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O6S/c1-10-11(2)20-27-17(10)21(9-26-13(4)25-5)28(23,24)16-7-6-14(8-15(16)18)19-12(3)22/h6-8,13H,9H2,1-5H3,(H,19,22).
What are the key properties of N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide?
N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 476.35 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)-(1-methoxyethoxymethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 18754959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).