(2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine

C20H20N2O4S2 — CID 155916573

IUPAC(2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C20H20N2O4S2/c23-28(24,20-9-8-19(27-20)16-10-11-21-26-16)22-12-17(14-4-2-1-3-5-14)25-18(13-22)15-6-7-15/h1-5,8-11,15,17-18H,6-7,12-13H2/t17-,18+/m0/s1
InChIKeyQUMWBKHQKWPUMW-ZWKOTPCHSA-N
MW416.52 g/mol
LogP3.94
Rot. Bonds5

About (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine

(2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine (PubChem CID 155916573) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine
PubChem CID155916573
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name(2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C20H20N2O4S2/c23-28(24,20-9-8-19(27-20)16-10-11-21-26-16)22-12-17(14-4-2-1-3-5-14)25-18(13-22)15-6-7-15/h1-5,8-11,15,17-18H,6-7,12-13H2/t17-,18+/m0/s1
InChIKeyQUMWBKHQKWPUMW-ZWKOTPCHSA-N
XLogP3.94
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 56891247
(2S,6R)-2-cyclopropyl-N,N-dimethyl-6-phenylmorpholine-4-sulfonamide
CID 134709238
3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936295
5-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2-oxazole
CID 53112003
5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole
CID 39730338
N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide
CID 89238361
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
N-[5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238337
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one
CID 155500531
N-(2-methoxyphenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112015
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
CID 134714028

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine?
The IUPAC name of (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine (CID 155916573) is (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine.
What is the SMILES notation for (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine?
The canonical SMILES for (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine is O=S(=O)(c1ccc(-c2ccno2)s1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1.
What is the InChIKey of (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine?
The InChIKey is QUMWBKHQKWPUMW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c23-28(24,20-9-8-19(27-20)16-10-11-21-26-16)22-12-17(14-4-2-1-3-5-14)25-18(13-22)15-6-7-15/h1-5,8-11,15,17-18H,6-7,12-13H2/t17-,18+/m0/s1.
What are the key properties of (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine?
(2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine has a molecular weight of 416.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine is sourced from PubChem (CID 155916573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).