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

C13H15F3N2O3S2 — CID 45106759

IUPACN-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C13H15F3N2O3S2/c1-3-4-7-18(2)23(19,20)12-6-5-10(22-12)9-8-11(17-21-9)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyBGHQECDYHIOIEU-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.84
Rot. Bonds6

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

N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 45106759) has the molecular formula C13H15F3N2O3S2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID45106759
Molecular FormulaC13H15F3N2O3S2
Molecular Weight368.40 g/mol
Exact Mass368.05
IUPAC NameN-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C13H15F3N2O3S2/c1-3-4-7-18(2)23(19,20)12-6-5-10(22-12)9-8-11(17-21-9)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyBGHQECDYHIOIEU-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

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Related Compounds

N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
1-Methyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936233
1-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 20936242
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
3-[5-(tetrahydro-1H-pyrrol-1-ylsulfonyl)-2-thienyl]-5-(trifluoromethyl)isoxazole
CID 2823119
3-Methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole
CID 20936285
1-{[5-(5-Isoxazolyl)-2-thienyl]sulfonyl}piperidine
CID 1471911
3-Methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936239
5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 16024975
N-benzyl-N-[2-(dimethylamino)ethyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025221

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (CID 45106759) is N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is CCCCN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1.
What is the InChIKey of N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is BGHQECDYHIOIEU-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(17-21-9)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
N-butyl-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-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-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 45106759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).