3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C18H18BrF3N2O3S — CID 112763964

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18BrF3N2O3S/c1-12(13-3-2-4-14(11-13)18(20,21)22)24-17(25)9-10-23-28(26,27)16-7-5-15(19)6-8-16/h2-8,11-12,23H,9-10H2,1H3,(H,24,25)
InChIKeyIATWSVLVLDPYGA-UHFFFAOYSA-N
MW479.32 g/mol
LogP4.01
Rot. Bonds7

About 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 112763964) has the molecular formula C18H18BrF3N2O3S and a molecular weight of 479.32 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID112763964
Molecular FormulaC18H18BrF3N2O3S
Molecular Weight479.32 g/mol
Exact Mass478.02
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18BrF3N2O3S/c1-12(13-3-2-4-14(11-13)18(20,21)22)24-17(25)9-10-23-28(26,27)16-7-5-15(19)6-8-16/h2-8,11-12,23H,9-10H2,1H3,(H,24,25)
InChIKeyIATWSVLVLDPYGA-UHFFFAOYSA-N
XLogP4.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide 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

3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763941
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 43873841
3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 40817603
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 51965439
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 112763964) is 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is IATWSVLVLDPYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF3N2O3S/c1-12(13-3-2-4-14(11-13)18(20,21)22)24-17(25)9-10-23-28(26,27)16-7-5-15(19)6-8-16/h2-8,11-12,23H,9-10H2,1H3,(H,24,25).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 479.32 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 112763964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).