N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide

C11H14N2O3S2 — CID 110646333

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1noc(C)c1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H14N2O3S2/c1-8-10(9(2)16-13-8)5-6-12-18(14,15)11-4-3-7-17-11/h3-4,7,12H,5-6H2,1-2H3
InChIKeyYTPHYHKJQGVQRM-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110646333) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110646333
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1noc(C)c1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H14N2O3S2/c1-8-10(9(2)16-13-8)5-6-12-18(14,15)11-4-3-7-17-11/h3-4,7,12H,5-6H2,1-2H3
InChIKeyYTPHYHKJQGVQRM-UHFFFAOYSA-N
XLogP1.87
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646335
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 110646318
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110646326
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722045
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 71912550
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110671451
N-pentylthiophene-2-sulfonamide
CID 5150701
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 110646333) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide is Cc1noc(C)c1CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YTPHYHKJQGVQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-8-10(9(2)16-13-8)5-6-12-18(14,15)11-4-3-7-17-11/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110646333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).