N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

C16H13F3N2O3S2 — CID 45106712

IUPACN-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)cc1
InChIInChI=1S/C16H13F3N2O3S2/c1-10-3-5-11(6-4-10)21(2)26(22,23)15-8-7-13(25-15)12-9-14(20-24-12)16(17,18)19/h3-9H,1-2H3
InChIKeyRRQHTVDCHLUTNX-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.56
Rot. Bonds4

About N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 45106712) has the molecular formula C16H13F3N2O3S2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID45106712
Molecular FormulaC16H13F3N2O3S2
Molecular Weight402.42 g/mol
Exact Mass402.03
IUPAC NameN-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)cc1
InChIInChI=1S/C16H13F3N2O3S2/c1-10-3-5-11(6-4-10)21(2)26(22,23)15-8-7-13(25-15)12-9-14(20-24-12)16(17,18)19/h3-9H,1-2H3
InChIKeyRRQHTVDCHLUTNX-UHFFFAOYSA-N
XLogP4.56
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.56
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
1-[4-(4-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazin-1-YL)phenyl]ethan-1-one
CID 16025009
N-(2-ethyl-6-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025015
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
1-(2,5-Dimethylphenyl)-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936213
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
N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936311
3-Methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole
CID 20936285
2-{[5-(3-Methylisoxazol-5-yl)thien-2-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline
CID 20936215
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89665064

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (CID 45106712) is N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is RRQHTVDCHLUTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S2/c1-10-3-5-11(6-4-10)21(2)26(22,23)15-8-7-13(25-15)12-9-14(20-24-12)16(17,18)19/h3-9H,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 402.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 45106712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).