N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide

C27H32N4O5S — CID 59105584

IUPACN-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide
SMILESCc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H32N4O5S/c1-21-7-9-23(10-8-21)16-19-31(20-17-26(32)30-34)37(35,36)25-13-11-24(12-14-25)29-27(33)28-18-15-22-5-3-2-4-6-22/h2-14,34H,15-20H2,1H3,(H,30,32)(H2,28,29,33)
InChIKeyGABNMJUZRPLYSB-UHFFFAOYSA-N
MW524.64 g/mol
LogP3.49
Rot. Bonds12

About N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide

N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide (PubChem CID 59105584) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide
PubChem CID59105584
Molecular FormulaC27H32N4O5S
Molecular Weight524.64 g/mol
Exact Mass524.21
IUPAC NameN-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide
SMILESCc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H32N4O5S/c1-21-7-9-23(10-8-21)16-19-31(20-17-26(32)30-34)37(35,36)25-13-11-24(12-14-25)29-27(33)28-18-15-22-5-3-2-4-6-22/h2-14,34H,15-20H2,1H3,(H,30,32)(H2,28,29,33)
InChIKeyGABNMJUZRPLYSB-UHFFFAOYSA-N
XLogP3.49
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.64
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide
CID 71452286
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119933
N'-hydroxy-N-[2-(4-methylphenyl)ethyl]butanediamide
CID 162387640
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100790047

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide (CID 59105584) is N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide is Cc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide?
The InChIKey is GABNMJUZRPLYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5S/c1-21-7-9-23(10-8-21)16-19-31(20-17-26(32)30-34)37(35,36)25-13-11-24(12-14-25)29-27(33)28-18-15-22-5-3-2-4-6-22/h2-14,34H,15-20H2,1H3,(H,30,32)(H2,28,29,33).
What are the key properties of N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide?
N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide has a molecular weight of 524.64 g/mol, XLogP of 3.49, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 59105584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).