(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide

C22H19F4N3O4S — CID 41153856

IUPAC(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H19F4N3O4S/c1-14(21(30)28-17-8-10-19(11-9-17)33-22(24,25)26)27-16-4-6-18(7-5-16)29-34(31,32)20-12-2-15(23)3-13-20/h2-14,27,29H,1H3,(H,28,30)/t14-/m0/s1
InChIKeyLTDGHZMTRCFHGN-AWEZNQCLSA-N
MW497.47 g/mol
LogP4.96
Rot. Bonds8

About (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide

(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 41153856) has the molecular formula C22H19F4N3O4S and a molecular weight of 497.47 g/mol. Its IUPAC name is (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID41153856
Molecular FormulaC22H19F4N3O4S
Molecular Weight497.47 g/mol
Exact Mass497.10
IUPAC Name(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H19F4N3O4S/c1-14(21(30)28-17-8-10-19(11-9-17)33-22(24,25)26)27-16-4-6-18(7-5-16)29-34(31,32)20-12-2-15(23)3-13-20/h2-14,27,29H,1H3,(H,28,30)/t14-/m0/s1
InChIKeyLTDGHZMTRCFHGN-AWEZNQCLSA-N
XLogP4.96
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.47
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
CID 51925783
2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55810917
(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide
CID 41153855
2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 45100106
2-(4-tert-butylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 21367163
N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
CID 17478192
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 100518354
(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 37309361
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 41153856) is (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide is C[C@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is LTDGHZMTRCFHGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19F4N3O4S/c1-14(21(30)28-17-8-10-19(11-9-17)33-22(24,25)26)27-16-4-6-18(7-5-16)29-34(31,32)20-12-2-15(23)3-13-20/h2-14,27,29H,1H3,(H,28,30)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 497.47 g/mol, XLogP of 4.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 41153856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).