3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

C25H26F3N3O5S2 — CID 25252988

IUPAC3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H26F3N3O5S2/c1-15-14-16(2)22(31-9-11-35-12-10-31)17(3)21(15)29-24(32)23-20(8-13-37-23)30-38(33,34)19-6-4-18(5-7-19)36-25(26,27)28/h4-8,13-14,30H,9-12H2,1-3H3,(H,29,32)
InChIKeyFPMFOOZRAPJALN-UHFFFAOYSA-N
MW569.63 g/mol
LogP5.46
Rot. Bonds7

About 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 25252988) has the molecular formula C25H26F3N3O5S2 and a molecular weight of 569.63 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID25252988
Molecular FormulaC25H26F3N3O5S2
Molecular Weight569.63 g/mol
Exact Mass569.13
IUPAC Name3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H26F3N3O5S2/c1-15-14-16(2)22(31-9-11-35-12-10-31)17(3)21(15)29-24(32)23-20(8-13-37-23)30-38(33,34)19-6-4-18(5-7-19)36-25(26,27)28/h4-8,13-14,30H,9-12H2,1-3H3,(H,29,32)
InChIKeyFPMFOOZRAPJALN-UHFFFAOYSA-N
XLogP5.46
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.63
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 87603776
3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604038
3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604418
3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 143785127
3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 143785114
3-[(4-fluorobenzoyl)amino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87603974
4-[(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 59643651
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 70120787
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4796545
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
CID 58125751

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 25252988) is 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is Cc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is FPMFOOZRAPJALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O5S2/c1-15-14-16(2)22(31-9-11-35-12-10-31)17(3)21(15)29-24(32)23-20(8-13-37-23)30-38(33,34)19-6-4-18(5-7-19)36-25(26,27)28/h4-8,13-14,30H,9-12H2,1-3H3,(H,29,32).
What are the key properties of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 569.63 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 25252988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).