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

C31H32N4O5S — CID 59105586

IUPAC3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
SMILESCc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H32N4O5S/c1-24-12-14-25(15-13-24)20-22-34(23-21-30(36)33-38)41(39,40)29-18-16-26(17-19-29)32-31(37)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h2-19,38H,20-23H2,1H3,(H,32,37)(H,33,36)
InChIKeyCFPKLRMYXFIWJW-UHFFFAOYSA-N
MW572.69 g/mol
LogP5.49
Rot. Bonds11

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

3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide (PubChem CID 59105586) has the molecular formula C31H32N4O5S and a molecular weight of 572.69 g/mol. Its IUPAC name is 3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
PubChem CID59105586
Molecular FormulaC31H32N4O5S
Molecular Weight572.69 g/mol
Exact Mass572.21
IUPAC Name3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
SMILESCc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H32N4O5S/c1-24-12-14-25(15-13-24)20-22-34(23-21-30(36)33-38)41(39,40)29-18-16-26(17-19-29)32-31(37)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h2-19,38H,20-23H2,1H3,(H,32,37)(H,33,36)
InChIKeyCFPKLRMYXFIWJW-UHFFFAOYSA-N
XLogP5.49
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.69
LogP ≤ 55.49
H-Bond Donors ≤ 53
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

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
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-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide
CID 23553791
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119933
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide?
The IUPAC name of 3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide (CID 59105586) is 3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide is Cc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide?
The InChIKey is CFPKLRMYXFIWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O5S/c1-24-12-14-25(15-13-24)20-22-34(23-21-30(36)33-38)41(39,40)29-18-16-26(17-19-29)32-31(37)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h2-19,38H,20-23H2,1H3,(H,32,37)(H,33,36).
What are the key properties of 3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide?
3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide has a molecular weight of 572.69 g/mol, XLogP of 5.49, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 59105586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).