[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

C19H20F2N2O7S2 — CID 3652797

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O7S2/c20-19(21)30-14-3-1-13(2-4-14)22-16(24)12-29-17(25)11-15-5-6-18(31-15)32(26,27)23-7-9-28-10-8-23/h1-6,19H,7-12H2,(H,22,24)
InChIKeyBIQHSTORGVAYEF-UHFFFAOYSA-N
MW490.51 g/mol
LogP2.09
Rot. Bonds9

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (PubChem CID 3652797) has the molecular formula C19H20F2N2O7S2 and a molecular weight of 490.51 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
PubChem CID3652797
Molecular FormulaC19H20F2N2O7S2
Molecular Weight490.51 g/mol
Exact Mass490.07
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O7S2/c20-19(21)30-14-3-1-13(2-4-14)22-16(24)12-29-17(25)11-15-5-6-18(31-15)32(26,27)23-7-9-28-10-8-23/h1-6,19H,7-12H2,(H,22,24)
InChIKeyBIQHSTORGVAYEF-UHFFFAOYSA-N
XLogP2.09
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(thiophene-2-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 15988672
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 2093114
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16275216
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide
CID 2355897
[2-(4-Methoxyanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2369535
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 2372951
1-[2-[4-[Methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
CID 2373159
N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 2402591
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2432020
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 2434102

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (CID 3652797) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is BIQHSTORGVAYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O7S2/c20-19(21)30-14-3-1-13(2-4-14)22-16(24)12-29-17(25)11-15-5-6-18(31-15)32(26,27)23-7-9-28-10-8-23/h1-6,19H,7-12H2,(H,22,24).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 490.51 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 3652797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).