N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C19H20F3N3O5S2 — CID 20936014

IUPACN-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N(CCN1CCOCC1)Cc1ccco1
InChIInChI=1S/C19H20F3N3O5S2/c20-19(21,22)17-12-15(23-30-17)16-3-4-18(31-16)32(26,27)25(13-14-2-1-9-29-14)6-5-24-7-10-28-11-8-24/h1-4,9,12H,5-8,10-11,13H2
InChIKeyDTFJYWWPEQLDFA-UHFFFAOYSA-N
MW491.51 g/mol
LogP3.54
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20936014) has the molecular formula C19H20F3N3O5S2 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20936014
Molecular FormulaC19H20F3N3O5S2
Molecular Weight491.51 g/mol
Exact Mass491.08
IUPAC NameN-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N(CCN1CCOCC1)Cc1ccco1
InChIInChI=1S/C19H20F3N3O5S2/c20-19(21,22)17-12-15(23-30-17)16-3-4-18(31-16)32(26,27)25(13-14-2-1-9-29-14)6-5-24-7-10-28-11-8-24/h1-4,9,12H,5-8,10-11,13H2
InChIKeyDTFJYWWPEQLDFA-UHFFFAOYSA-N
XLogP3.54
TPSA89.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939801
cis-(1R,2S)-2-(morpholin-4-ylmethyl)-2-phenyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 67525459
N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935943
3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 7222334
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 166223269
N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 5211176
N-(furan-2-ylmethyl)-2-methylsulfonyl-N-(2-morpholin-4-ylethyl)acetamide
CID 46995671
4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine
CID 50840251
N-(furan-2-ylmethyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20936052
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 23095614
3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 92707358
N-(quinolin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 76901119

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20936014) is N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N(CCN1CCOCC1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is DTFJYWWPEQLDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5S2/c20-19(21,22)17-12-15(23-30-17)16-3-4-18(31-16)32(26,27)25(13-14-2-1-9-29-14)6-5-24-7-10-28-11-8-24/h1-4,9,12H,5-8,10-11,13H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 491.51 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20936014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).