3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

C25H26F3N3O4S2 — CID 87604038

IUPAC3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H26F3N3O4S2/c1-15-14-16(2)22(31-11-4-5-12-31)17(3)21(15)29-24(32)23-20(10-13-36-23)37(33,34)30-18-6-8-19(9-7-18)35-25(26,27)28/h6-10,13-14,30H,4-5,11-12H2,1-3H3,(H,29,32)
InChIKeyQCZKVYSWNHJDJY-UHFFFAOYSA-N
MW553.63 g/mol
LogP6.23
Rot. Bonds7

About 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 87604038) has the molecular formula C25H26F3N3O4S2 and a molecular weight of 553.63 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID87604038
Molecular FormulaC25H26F3N3O4S2
Molecular Weight553.63 g/mol
Exact Mass553.13
IUPAC Name3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H26F3N3O4S2/c1-15-14-16(2)22(31-11-4-5-12-31)17(3)21(15)29-24(32)23-20(10-13-36-23)37(33,34)30-18-6-8-19(9-7-18)35-25(26,27)28/h6-10,13-14,30H,4-5,11-12H2,1-3H3,(H,29,32)
InChIKeyQCZKVYSWNHJDJY-UHFFFAOYSA-N
XLogP6.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.63
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 25252988
3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604418
3-[(4-fluorobenzoyl)amino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87603974
3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 87603776
3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 66717288
4-[(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 59643651
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 46517176
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643744
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 60615636
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 78836615

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (CID 87604038) is 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is QCZKVYSWNHJDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O4S2/c1-15-14-16(2)22(31-11-4-5-12-31)17(3)21(15)29-24(32)23-20(10-13-36-23)37(33,34)30-18-6-8-19(9-7-18)35-25(26,27)28/h6-10,13-14,30H,4-5,11-12H2,1-3H3,(H,29,32).
What are the key properties of 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 553.63 g/mol, XLogP of 6.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 87604038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).