N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide

C26H27F3N4O6S — CID 71452286

IUPACN-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide
SMILESCOc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C26H27F3N4O6S/c1-39-22-10-2-18(3-11-22)14-16-33(17-15-24(34)32-36)40(37,38)23-12-8-21(9-13-23)31-25(35)30-20-6-4-19(5-7-20)26(27,28)29/h2-13,36H,14-17H2,1H3,(H,32,34)(H2,30,31,35)
InChIKeyFDYXBAVDGXDQNF-UHFFFAOYSA-N
MW580.59 g/mol
LogP4.49
Rot. Bonds11

About N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide

N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide (PubChem CID 71452286) has the molecular formula C26H27F3N4O6S and a molecular weight of 580.59 g/mol. Its IUPAC name is N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide
PubChem CID71452286
Molecular FormulaC26H27F3N4O6S
Molecular Weight580.59 g/mol
Exact Mass580.16
IUPAC NameN-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide
SMILESCOc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C26H27F3N4O6S/c1-39-22-10-2-18(3-11-22)14-16-33(17-15-24(34)32-36)40(37,38)23-12-8-21(9-13-23)31-25(35)30-20-6-4-19(5-7-20)26(27,28)29/h2-13,36H,14-17H2,1H3,(H,32,34)(H2,30,31,35)
InChIKeyFDYXBAVDGXDQNF-UHFFFAOYSA-N
XLogP4.49
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.59
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide
CID 59105584
3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
CID 59105595
3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
CID 59105586
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate
CID 18678924
N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10525561
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140479
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide?
The IUPAC name of N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide (CID 71452286) is N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide is COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide?
The InChIKey is FDYXBAVDGXDQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O6S/c1-39-22-10-2-18(3-11-22)14-16-33(17-15-24(34)32-36)40(37,38)23-12-8-21(9-13-23)31-25(35)30-20-6-4-19(5-7-20)26(27,28)29/h2-13,36H,14-17H2,1H3,(H,32,34)(H2,30,31,35).
What are the key properties of N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide?
N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide has a molecular weight of 580.59 g/mol, XLogP of 4.49, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 71452286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).