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

C12H13F3N2O4S2 — CID 20935956

IUPACN-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C12H13F3N2O4S2/c1-20-6-2-5-16-23(18,19)11-4-3-9(22-11)8-7-10(21-17-8)12(13,14)15/h3-4,7,16H,2,5-6H2,1H3
InChIKeyJMEBHGHTPFILHS-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.74
Rot. Bonds7

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

N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20935956) has the molecular formula C12H13F3N2O4S2 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20935956
Molecular FormulaC12H13F3N2O4S2
Molecular Weight370.37 g/mol
Exact Mass370.03
IUPAC NameN-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C12H13F3N2O4S2/c1-20-6-2-5-16-23(18,19)11-4-3-9(22-11)8-7-10(21-17-8)12(13,14)15/h3-4,7,16H,2,5-6H2,1H3
InChIKeyJMEBHGHTPFILHS-UHFFFAOYSA-N
XLogP2.74
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017
N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935961
N-(quinolin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 76901119
N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935943
carbonic acid;N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 67525406
3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 7222334
2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840224
5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
CID 6977648
methyl 3-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonyl-1,3-thiazolidine-2-carboxylate
CID 2742796
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
(2S)-2-(3-acetyloxypropyl)-2-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 69462989
2-(3-acetyloxypropyl)-2-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 59692486

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20935956) is N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is COCCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is JMEBHGHTPFILHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O4S2/c1-20-6-2-5-16-23(18,19)11-4-3-9(22-11)8-7-10(21-17-8)12(13,14)15/h3-4,7,16H,2,5-6H2,1H3.
What are the key properties of N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 370.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20935956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).