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

C14H17F3N2O3S2 — CID 50840224

IUPAC2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C14H17F3N2O3S2/c1-8(2)4-5-18-24(20,21)12-7-11(23-9(12)3)10-6-13(22-19-10)14(15,16)17/h6-8,18H,4-5H2,1-3H3
InChIKeyMNZJLWCTAUMQSR-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.05
Rot. Bonds6

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

2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide (PubChem CID 50840224) has the molecular formula C14H17F3N2O3S2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
PubChem CID50840224
Molecular FormulaC14H17F3N2O3S2
Molecular Weight382.43 g/mol
Exact Mass382.06
IUPAC Name2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C14H17F3N2O3S2/c1-8(2)4-5-18-24(20,21)12-7-11(23-9(12)3)10-6-13(22-19-10)14(15,16)17/h6-8,18H,4-5H2,1-3H3
InChIKeyMNZJLWCTAUMQSR-UHFFFAOYSA-N
XLogP4.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079292
2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
CID 50840249
2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 46392947
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840169
3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 50840250
4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine
CID 50840251
3-[5-methyl-4-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840234
N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935956
2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396220
N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017
1-[4-[4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylpiperazin-1-yl]phenyl]ethanone
CID 46396367
N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide (CID 50840224) is 2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is MNZJLWCTAUMQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S2/c1-8(2)4-5-18-24(20,21)12-7-11(23-9(12)3)10-6-13(22-19-10)14(15,16)17/h6-8,18H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 382.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 50840224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).