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

C12H16N2O3S2 — CID 90537815

IUPAC5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2cc(C)no2)s1
InChIInChI=1S/C12H16N2O3S2/c1-3-11-4-5-12(18-11)19(15,16)13-7-6-10-8-9(2)14-17-10/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyCZYSIDPXZMEPMO-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.13
Rot. Bonds6

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

5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 90537815) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
PubChem CID90537815
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC Name5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2cc(C)no2)s1
InChIInChI=1S/C12H16N2O3S2/c1-3-11-4-5-12(18-11)19(15,16)13-7-6-10-8-9(2)14-17-10/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyCZYSIDPXZMEPMO-UHFFFAOYSA-N
XLogP2.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
CID 90537808
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide
CID 90537785
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
CID 71789762
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110717928
5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110397970
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide
CID 110324199
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110326323
N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 113100868

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide (CID 90537815) is 5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2cc(C)no2)s1.
What is the InChIKey of 5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is CZYSIDPXZMEPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-3-11-4-5-12(18-11)19(15,16)13-7-6-10-8-9(2)14-17-10/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90537815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).