3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide

C26H30N4O5S — CID 59105595

IUPAC3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
SMILESCc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N4O5S/c1-20-7-9-21(10-8-20)15-17-30(18-16-25(31)29-33)36(34,35)24-13-11-23(12-14-24)28-26(32)27-19-22-5-3-2-4-6-22/h2-14,33H,15-19H2,1H3,(H,29,31)(H2,27,28,32)
InChIKeyFHLFRSRMZJFSGM-UHFFFAOYSA-N
MW510.62 g/mol
LogP3.45
Rot. Bonds11

About 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide

3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide (PubChem CID 59105595) has the molecular formula C26H30N4O5S and a molecular weight of 510.62 g/mol. Its IUPAC name is 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
PubChem CID59105595
Molecular FormulaC26H30N4O5S
Molecular Weight510.62 g/mol
Exact Mass510.19
IUPAC Name3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
SMILESCc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N4O5S/c1-20-7-9-21(10-8-20)15-17-30(18-16-25(31)29-33)36(34,35)24-13-11-23(12-14-24)28-26(32)27-19-22-5-3-2-4-6-22/h2-14,33H,15-19H2,1H3,(H,29,31)(H2,27,28,32)
InChIKeyFHLFRSRMZJFSGM-UHFFFAOYSA-N
XLogP3.45
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 53.45
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'}

Analyze 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide
CID 59105584
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-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119933
N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide
CID 71452286
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874368
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874395
3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide
CID 23553791

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide?
The IUPAC name of 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide (CID 59105595) is 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide is Cc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide?
The InChIKey is FHLFRSRMZJFSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-20-7-9-21(10-8-20)15-17-30(18-16-25(31)29-33)36(34,35)24-13-11-23(12-14-24)28-26(32)27-19-22-5-3-2-4-6-22/h2-14,33H,15-19H2,1H3,(H,29,31)(H2,27,28,32).
What are the key properties of 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide?
3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide has a molecular weight of 510.62 g/mol, XLogP of 3.45, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 59105595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).