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

C13H15F3N2O3S2 — CID 20935943

IUPACN-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C13H15F3N2O3S2/c1-3-4-7-18(2)23(19,20)12-6-5-10(22-12)9-8-11(21-17-9)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMYGWLMACBIIVKZ-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.84
Rot. Bonds6

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

N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20935943) has the molecular formula C13H15F3N2O3S2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20935943
Molecular FormulaC13H15F3N2O3S2
Molecular Weight368.40 g/mol
Exact Mass368.05
IUPAC NameN-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C13H15F3N2O3S2/c1-3-4-7-18(2)23(19,20)12-6-5-10(22-12)9-8-11(21-17-9)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMYGWLMACBIIVKZ-UHFFFAOYSA-N
XLogP3.84
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20935943) is N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is CCCCN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is MYGWLMACBIIVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S2/c1-3-4-7-18(2)23(19,20)12-6-5-10(22-12)9-8-11(21-17-9)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 368.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20935943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).