N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide

C20H22F3N3O4S — CID 55549476

IUPACN-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3N3O4S/c1-19(2,3)26-18(28)13-7-9-15(10-8-13)25-17(27)12-24-31(29,30)16-6-4-5-14(11-16)20(21,22)23/h4-11,24H,12H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyNPIDDPMLARMPOG-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.15
Rot. Bonds6

About N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide

N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide (PubChem CID 55549476) has the molecular formula C20H22F3N3O4S and a molecular weight of 457.47 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide
PubChem CID55549476
Molecular FormulaC20H22F3N3O4S
Molecular Weight457.47 g/mol
Exact Mass457.13
IUPAC NameN-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3N3O4S/c1-19(2,3)26-18(28)13-7-9-15(10-8-13)25-17(27)12-24-31(29,30)16-6-4-5-14(11-16)20(21,22)23/h4-11,24H,12H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyNPIDDPMLARMPOG-UHFFFAOYSA-N
XLogP3.15
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
ethyl (E)-3-[4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]prop-2-enoate
CID 55462439
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 86891705
N-[6-(diethylamino)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545982
N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 56545994
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N-[2-(ethylamino)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 119509116
N-[2-methyl-2-(3-methylphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548155
2-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112999443
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide (CID 55549476) is N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide is CC(C)(C)NC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide?
The InChIKey is NPIDDPMLARMPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4S/c1-19(2,3)26-18(28)13-7-9-15(10-8-13)25-17(27)12-24-31(29,30)16-6-4-5-14(11-16)20(21,22)23/h4-11,24H,12H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide?
N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide has a molecular weight of 457.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide is sourced from PubChem (CID 55549476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).