2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide

C23H20F3N3O2S — CID 19712375

IUPAC2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2S/c1-15(21(30)27-19-9-5-6-16(14-19)23(24,25)26)32-20-12-10-18(11-13-20)29-22(31)28-17-7-3-2-4-8-17/h2-15H,1H3,(H,27,30)(H2,28,29,31)
InChIKeyOXLAMEIHGFRRNT-UHFFFAOYSA-N
MW459.49 g/mol
LogP6.47
Rot. Bonds6

About 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide

2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 19712375) has the molecular formula C23H20F3N3O2S and a molecular weight of 459.49 g/mol. Its IUPAC name is 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID19712375
Molecular FormulaC23H20F3N3O2S
Molecular Weight459.49 g/mol
Exact Mass459.12
IUPAC Name2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2S/c1-15(21(30)27-19-9-5-6-16(14-19)23(24,25)26)32-20-12-10-18(11-13-20)29-22(31)28-17-7-3-2-4-8-17/h2-15H,1H3,(H,27,30)(H2,28,29,31)
InChIKeyOXLAMEIHGFRRNT-UHFFFAOYSA-N
XLogP6.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.49
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785193
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7484755
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
3-nitro-N-[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]benzamide
CID 23098947
(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7402921
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 19712457
(2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40623023
N-[(Z)-3-oxo-3-[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylanilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22189346
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 19712375) is 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OXLAMEIHGFRRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2S/c1-15(21(30)27-19-9-5-6-16(14-19)23(24,25)26)32-20-12-10-18(11-13-20)29-22(31)28-17-7-3-2-4-8-17/h2-15H,1H3,(H,27,30)(H2,28,29,31).
What are the key properties of 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide?
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 459.49 g/mol, XLogP of 6.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 19712375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).