N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide

C16H17BrN2O4S — CID 57000451

IUPACN-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1cc(Br)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C16H17BrN2O4S/c1-9(19-24(2,21)22)13-7-11(17)5-6-12(13)15(20)14-8-18-23-16(14)10-3-4-10/h5-10,19H,3-4H2,1-2H3
InChIKeyCPUKZLBCLMAGNZ-UHFFFAOYSA-N
MW413.29 g/mol
LogP3.16
Rot. Bonds6

About N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide

N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide (PubChem CID 57000451) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide
PubChem CID57000451
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC NameN-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1cc(Br)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C16H17BrN2O4S/c1-9(19-24(2,21)22)13-7-11(17)5-6-12(13)15(20)14-8-18-23-16(14)10-3-4-10/h5-10,19H,3-4H2,1-2H3
InChIKeyCPUKZLBCLMAGNZ-UHFFFAOYSA-N
XLogP3.16
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide with MolForge

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Related Compounds

[4-bromo-2-(tert-butylsulfinylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 150704628
(4-bromo-3-methoxy-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54526989
2-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl-oxosulfanium
CID 174263919
N-[2,3-dibromo-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylmethanesulfonamide
CID 22621050
N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
CID 22620945
[2-bromo-4-(methylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950337
(4-chloro-2-ethylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54042832
[4-chloro-3-methylsulfonyl-2-(trifluoromethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54128440
5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
CID 14819893
[4-chloro-2-methoxy-3-(methylsulfonylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950291
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-ethylsulfinyl-2-(trifluoromethyl)phenyl]methanone
CID 54406836
4-(4-bromo-2-methylsulfonylbenzoyl)-5-cyclopropyl-1,2-oxazole-3-carboxylic acid
CID 23190165

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide (CID 57000451) is N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1cc(Br)ccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide?
The InChIKey is CPUKZLBCLMAGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-9(19-24(2,21)22)13-7-11(17)5-6-12(13)15(20)14-8-18-23-16(14)10-3-4-10/h5-10,19H,3-4H2,1-2H3.
What are the key properties of N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide?
N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide has a molecular weight of 413.29 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-bromo-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 57000451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).