N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide

C19H18F3N3O4S — CID 56545994

IUPACN-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H18F3N3O4S/c20-19(21,22)13-3-1-6-16(9-13)30(28,29)23-11-17(26)24-14-4-2-5-15(10-14)25-18(27)12-7-8-12/h1-6,9-10,12,23H,7-8,11H2,(H,24,26)(H,25,27)
InChIKeyPYLHUVLJKLQORA-UHFFFAOYSA-N
MW441.43 g/mol
LogP2.97
Rot. Bonds7

About N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 56545994) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID56545994
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC NameN-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H18F3N3O4S/c20-19(21,22)13-3-1-6-16(9-13)30(28,29)23-11-17(26)24-14-4-2-5-15(10-14)25-18(27)12-7-8-12/h1-6,9-10,12,23H,7-8,11H2,(H,24,26)(H,25,27)
InChIKeyPYLHUVLJKLQORA-UHFFFAOYSA-N
XLogP2.97
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(propanoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55574226
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
2-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112999443
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 86891705
N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide
CID 55549476
N-[4-[acetyl(methyl)amino]phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548568
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550778
6-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]-2,3-dihydroindole-1-carboxamide
CID 155948722
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119612221
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide (CID 56545994) is N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is PYLHUVLJKLQORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c20-19(21,22)13-3-1-6-16(9-13)30(28,29)23-11-17(26)24-14-4-2-5-15(10-14)25-18(27)12-7-8-12/h1-6,9-10,12,23H,7-8,11H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 441.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 56545994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).