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

C16H13F3N2O4S2 — CID 20935961

IUPACN-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C16H13F3N2O4S2/c1-9-3-4-12(24-2)10(7-9)21-27(22,23)15-6-5-13(26-15)11-8-14(25-20-11)16(17,18)19/h3-8,21H,1-2H3
InChIKeyGNOFHCQLSQHYSK-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.54
Rot. Bonds5

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

N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20935961) has the molecular formula C16H13F3N2O4S2 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20935961
Molecular FormulaC16H13F3N2O4S2
Molecular Weight418.42 g/mol
Exact Mass418.03
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C16H13F3N2O4S2/c1-9-3-4-12(24-2)10(7-9)21-27(22,23)15-6-5-13(26-15)11-8-14(25-20-11)16(17,18)19/h3-8,21H,1-2H3
InChIKeyGNOFHCQLSQHYSK-UHFFFAOYSA-N
XLogP4.54
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 68956147
N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017
N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935956
5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 43155714
N-(2-methoxyphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839452
N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide
CID 53078555
trans-(1R,2S)-2-(2-methoxyphenyl)-2-methyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 67525559
N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 2742772
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839615
2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
CID 50840249
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840169
N-(2-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947495

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20935961) is N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is GNOFHCQLSQHYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4S2/c1-9-3-4-12(24-2)10(7-9)21-27(22,23)15-6-5-13(26-15)11-8-14(25-20-11)16(17,18)19/h3-8,21H,1-2H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 418.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20935961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).