4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide

C20H23F3N2O3S — CID 51965439

IUPAC4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCc1ccc(S(=O)(=O)NCCCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O3S/c1-14-5-11-18(12-6-14)29(27,28)24-13-3-4-19(26)25-15(2)16-7-9-17(10-8-16)20(21,22)23/h5-12,15,24H,3-4,13H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyLTWUVVVGZQSDKW-HNNXBMFYSA-N
MW428.48 g/mol
LogP3.95
Rot. Bonds8

About 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide

4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 51965439) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID51965439
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCc1ccc(S(=O)(=O)NCCCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O3S/c1-14-5-11-18(12-6-14)29(27,28)24-13-3-4-19(26)25-15(2)16-7-9-17(10-8-16)20(21,22)23/h5-12,15,24H,3-4,13H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyLTWUVVVGZQSDKW-HNNXBMFYSA-N
XLogP3.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763964
N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 97088140
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580
4-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]benzenesulfonamide
CID 25139967
N-[(1R)-1-(4-methylphenyl)ethyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 99132434
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide (CID 51965439) is 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide is Cc1ccc(S(=O)(=O)NCCCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is LTWUVVVGZQSDKW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-14-5-11-18(12-6-14)29(27,28)24-13-3-4-19(26)25-15(2)16-7-9-17(10-8-16)20(21,22)23/h5-12,15,24H,3-4,13H2,1-2H3,(H,25,26)/t15-/m0/s1.
What are the key properties of 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 428.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 51965439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).