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

C16H24N2O3S2 — CID 53057346

IUPAC4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C
InChIInChI=1S/C16H24N2O3S2/c1-8-16(6,7)18-23(19,20)15-12(5)22-11(4)13(15)14-9(2)10(3)17-21-14/h18H,8H2,1-7H3
InChIKeyIHEKFSJHSKCCTO-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.10
Rot. Bonds5

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

4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide (PubChem CID 53057346) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
PubChem CID53057346
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C
InChIInChI=1S/C16H24N2O3S2/c1-8-16(6,7)18-23(19,20)15-12(5)22-11(4)13(15)14-9(2)10(3)17-21-14/h18H,8H2,1-7H3
InChIKeyIHEKFSJHSKCCTO-UHFFFAOYSA-N
XLogP4.10
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide (CID 53057346) is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide is CCC(C)(C)NS(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C.
What is the InChIKey of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide?
The InChIKey is IHEKFSJHSKCCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-8-16(6,7)18-23(19,20)15-12(5)22-11(4)13(15)14-9(2)10(3)17-21-14/h18H,8H2,1-7H3.
What are the key properties of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide?
4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide has a molecular weight of 356.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).