2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide

C32H34F4N4O11S2 — CID 4616345

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C32H34F4N4O11S2/c33-31(34)32(35,36)51-28-10-1-22(37-29(41)20-49-23-2-6-25(7-3-23)52(43,44)39-11-15-47-16-12-39)19-27(28)38-30(42)21-50-24-4-8-26(9-5-24)53(45,46)40-13-17-48-18-14-40/h1-10,19,31H,11-18,20-21H2,(H,37,41)(H,38,42)
InChIKeyUZKLIMMNFAKHRZ-UHFFFAOYSA-N
MW790.77 g/mol
LogP3.00
Rot. Bonds15

About 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide

2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide (PubChem CID 4616345) has the molecular formula C32H34F4N4O11S2 and a molecular weight of 790.77 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
PubChem CID4616345
Molecular FormulaC32H34F4N4O11S2
Molecular Weight790.77 g/mol
Exact Mass790.16
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C32H34F4N4O11S2/c33-31(34)32(35,36)51-28-10-1-22(37-29(41)20-49-23-2-6-25(7-3-23)52(43,44)39-11-15-47-16-12-39)19-27(28)38-30(42)21-50-24-4-8-26(9-5-24)53(45,46)40-13-17-48-18-14-40/h1-10,19,31H,11-18,20-21H2,(H,37,41)(H,38,42)
InChIKeyUZKLIMMNFAKHRZ-UHFFFAOYSA-N
XLogP3.00
TPSA179.11 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.77
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27017330
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N-(2,5-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28553842
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-(4-methyl-3-sulfamoylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30835139
2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17310285
N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
N-(2,6-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27101599
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 17070440

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide (CID 4616345) is 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide is O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The InChIKey is UZKLIMMNFAKHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F4N4O11S2/c33-31(34)32(35,36)51-28-10-1-22(37-29(41)20-49-23-2-6-25(7-3-23)52(43,44)39-11-15-47-16-12-39)19-27(28)38-30(42)21-50-24-4-8-26(9-5-24)53(45,46)40-13-17-48-18-14-40/h1-10,19,31H,11-18,20-21H2,(H,37,41)(H,38,42).
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide has a molecular weight of 790.77 g/mol, XLogP of 3.00, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenoxy)-N-[3-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 4616345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).