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

C14H11F3N2O3S3 — CID 50840153

IUPAC2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C14H11F3N2O3S3/c1-8-12(25(20,21)18-7-9-3-2-4-23-9)6-11(24-8)10-5-13(22-19-10)14(15,16)17/h2-6,18H,7H2,1H3
InChIKeyZOAUTVQOQLNGSH-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.27
Rot. Bonds5

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

2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide (PubChem CID 50840153) has the molecular formula C14H11F3N2O3S3 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
PubChem CID50840153
Molecular FormulaC14H11F3N2O3S3
Molecular Weight408.45 g/mol
Exact Mass407.99
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C14H11F3N2O3S3/c1-8-12(25(20,21)18-7-9-3-2-4-23-9)6-11(24-8)10-5-13(22-19-10)14(15,16)17/h2-6,18H,7H2,1H3
InChIKeyZOAUTVQOQLNGSH-UHFFFAOYSA-N
XLogP4.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[5-(tetrahydro-1H-pyrrol-1-ylsulfonyl)-2-thienyl]-5-(trifluoromethyl)isoxazole
CID 2823119
3-(Thiophen-2-yl)-5-(trifluoromethyl)isoxazole
CID 736194
N-[(4-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025196
N-[(3-bromophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025258
N-benzyl-N-[2-(dimethylamino)ethyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025221
N,N-Dimethyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonamide
CID 542127
Methyl 3-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonyl-1,3-thiazolidine-2-carboxylate
CID 2742796
1-Methyl-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophen-2-YL}sulfonyl)piperazine
CID 2742815
N-(2-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025003
N-Benzyl-N-(propan-2-YL)-5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophene-2-sulfonamide
CID 16025224
N-{[4-(Dimethylamino)phenyl]methyl}-5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophene-2-sulfonamide
CID 16025256
N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 45106738

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide (CID 50840153) is 2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is ZOAUTVQOQLNGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3S3/c1-8-12(25(20,21)18-7-9-3-2-4-23-9)6-11(24-8)10-5-13(22-19-10)14(15,16)17/h2-6,18H,7H2,1H3.
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 408.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 50840153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).