(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide

C19H22F3N3O4S — CID 51925783

IUPAC(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H22F3N3O4S/c1-12(2)25-30(27,28)17-10-6-15(7-11-17)24-18(26)13(3)23-14-4-8-16(9-5-14)29-19(20,21)22/h4-13,23,25H,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyNGANSOGNBRQJHC-CYBMUJFWSA-N
MW445.46 g/mol
LogP3.71
Rot. Bonds8

About (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide

(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide (PubChem CID 51925783) has the molecular formula C19H22F3N3O4S and a molecular weight of 445.46 g/mol. Its IUPAC name is (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
PubChem CID51925783
Molecular FormulaC19H22F3N3O4S
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC Name(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H22F3N3O4S/c1-12(2)25-30(27,28)17-10-6-15(7-11-17)24-18(26)13(3)23-14-4-8-16(9-5-14)29-19(20,21)22/h4-13,23,25H,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyNGANSOGNBRQJHC-CYBMUJFWSA-N
XLogP3.71
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856
2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 45100106
(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 37309361
2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55810917
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575991
2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55684091
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 32509495
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(2,2,2-trifluoroethoxy)anilino]propanamide
CID 42119298
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide?
The IUPAC name of (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide (CID 51925783) is (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide.
What is the SMILES notation for (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide?
The canonical SMILES for (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide?
The InChIKey is NGANSOGNBRQJHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22F3N3O4S/c1-12(2)25-30(27,28)17-10-6-15(7-11-17)24-18(26)13(3)23-14-4-8-16(9-5-14)29-19(20,21)22/h4-13,23,25H,1-3H3,(H,24,26)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide?
(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide has a molecular weight of 445.46 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide is sourced from PubChem (CID 51925783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).