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

C17H18N2O3S2 — CID 53057268

IUPAC2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-10-5-7-14(8-6-10)19-24(20,21)17-13(4)23-12(3)16(17)15-9-11(2)18-22-15/h5-9,19H,1-4H3
InChIKeyZLMCECXUVZOMRK-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.44
Rot. Bonds4

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

2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide (PubChem CID 53057268) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide
PubChem CID53057268
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-10-5-7-14(8-6-10)19-24(20,21)17-13(4)23-12(3)16(17)15-9-11(2)18-22-15/h5-9,19H,1-4H3
InChIKeyZLMCECXUVZOMRK-UHFFFAOYSA-N
XLogP4.44
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid p-tolylamide
CID 10548486
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 5165886
N-[(2-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16024977
N-(5-chloro-2-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16024979
N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
1-[4-(4-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazin-1-YL)phenyl]ethan-1-one
CID 16025009
N-(2-ethyl-6-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025015
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
5-(3,4-Dimethyl-1,2-oxazol-5-YL)-2-methyl-N-[(thiophen-2-YL)methyl]benzene-1-sulfonamide
CID 16025027
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 20936282
N-(2-ethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936309
N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936311

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide (CID 53057268) is 2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1.
What is the InChIKey of 2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is ZLMCECXUVZOMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-10-5-7-14(8-6-10)19-24(20,21)17-13(4)23-12(3)16(17)15-9-11(2)18-22-15/h5-9,19H,1-4H3.
What are the key properties of 2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide?
2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).