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

C14H20N2O3S2 — CID 53057130

IUPAC2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)sc(C)c1-c1ccno1
InChIInChI=1S/C14H20N2O3S2/c1-6-14(4,5)16-21(17,18)13-10(3)20-9(2)12(13)11-7-8-15-19-11/h7-8,16H,6H2,1-5H3
InChIKeyUCBZUGOLORUHBB-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.49
Rot. Bonds5

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

2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057130) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057130
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)sc(C)c1-c1ccno1
InChIInChI=1S/C14H20N2O3S2/c1-6-14(4,5)16-21(17,18)13-10(3)20-9(2)12(13)11-7-8-15-19-11/h7-8,16H,6H2,1-5H3
InChIKeyUCBZUGOLORUHBB-UHFFFAOYSA-N
XLogP3.49
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide with MolForge

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Related Compounds

1-{[5-(5-Isoxazolyl)-2-thienyl]sulfonyl}piperidine
CID 1471911
N-ethyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936243
5-[5-(Pyrrolidin-1-ylsulfonyl)thiophen-2-yl]-1,2-oxazole
CID 21039664
2-[(5-Isoxazol-5-yl-2-thienyl)sulfonyl]-2,8-diazaspiro[4.5]decane
CID 56707401
N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 21039667
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53004934
2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057131
N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057150
2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057157
2,5-dimethyl-4-(1,2-oxazol-5-yl)-N-phenylthiophene-3-sulfonamide
CID 53057159
2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide
CID 53057268
N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057366

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057130) is 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is CCC(C)(C)NS(=O)(=O)c1c(C)sc(C)c1-c1ccno1.
What is the InChIKey of 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is UCBZUGOLORUHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-6-14(4,5)16-21(17,18)13-10(3)20-9(2)12(13)11-7-8-15-19-11/h7-8,16H,6H2,1-5H3.
What are the key properties of 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).