5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide

C16H16N2O3S2 — CID 53079426

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide
SMILESCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3)c(C)s2)c1C
InChIInChI=1S/C16H16N2O3S2/c1-10-11(2)17-21-16(10)14-9-15(12(3)22-14)23(19,20)18-13-7-5-4-6-8-13/h4-9,18H,1-3H3
InChIKeyGFNRZBINUHPYNN-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.13
Rot. Bonds4

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide

5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide (PubChem CID 53079426) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide
PubChem CID53079426
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide
SMILESCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3)c(C)s2)c1C
InChIInChI=1S/C16H16N2O3S2/c1-10-11(2)17-21-16(10)14-9-15(12(3)22-14)23(19,20)18-13-7-5-4-6-8-13/h4-9,18H,1-3H3
InChIKeyGFNRZBINUHPYNN-UHFFFAOYSA-N
XLogP4.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079419
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 53079363
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079380
2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396444
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 53112086
N-(3,5-dimethylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079297
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057307
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-2-methylthiophene-3-sulfonamide
CID 50821175
N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079301
N-(4-methoxyphenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079438
N-(2-fluorophenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonamide
CID 53041479

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide (CID 53079426) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide is Cc1noc(-c2cc(S(=O)(=O)Nc3ccccc3)c(C)s2)c1C.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide?
The InChIKey is GFNRZBINUHPYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-10-11(2)17-21-16(10)14-9-15(12(3)22-14)23(19,20)18-13-7-5-4-6-8-13/h4-9,18H,1-3H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide is sourced from PubChem (CID 53079426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).