N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C11H13BrN2O3S2 — CID 54986731

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)Cc2csc(Br)c2)no1
InChIInChI=1S/C11H13BrN2O3S2/c1-8-3-10(13-17-8)7-19(15,16)14(2)5-9-4-11(12)18-6-9/h3-4,6H,5,7H2,1-2H3
InChIKeyDHCBGODCUGFJMF-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.77
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 54986731) has the molecular formula C11H13BrN2O3S2 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID54986731
Molecular FormulaC11H13BrN2O3S2
Molecular Weight365.27 g/mol
Exact Mass363.96
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)Cc2csc(Br)c2)no1
InChIInChI=1S/C11H13BrN2O3S2/c1-8-3-10(13-17-8)7-19(15,16)14(2)5-9-4-11(12)18-6-9/h3-4,6H,5,7H2,1-2H3
InChIKeyDHCBGODCUGFJMF-UHFFFAOYSA-N
XLogP2.77
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 54986731) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)N(C)Cc2csc(Br)c2)no1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is DHCBGODCUGFJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S2/c1-8-3-10(13-17-8)7-19(15,16)14(2)5-9-4-11(12)18-6-9/h3-4,6H,5,7H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 365.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 54986731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).