N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide

C26H30N4O7S — CID 71455821

IUPACN-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H30N4O7S/c1-36-22-9-3-19(4-10-22)15-17-30(18-16-25(31)29-33)38(34,35)24-13-7-21(8-14-24)28-26(32)27-20-5-11-23(37-2)12-6-20/h3-14,33H,15-18H2,1-2H3,(H,29,31)(H2,27,28,32)
InChIKeyACXQLYNAGJTDLR-UHFFFAOYSA-N
MW542.61 g/mol
LogP3.48
Rot. Bonds12

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

N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide (PubChem CID 71455821) has the molecular formula C26H30N4O7S and a molecular weight of 542.61 g/mol. Its IUPAC name is N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide
PubChem CID71455821
Molecular FormulaC26H30N4O7S
Molecular Weight542.61 g/mol
Exact Mass542.18
IUPAC NameN-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H30N4O7S/c1-36-22-9-3-19(4-10-22)15-17-30(18-16-25(31)29-33)38(34,35)24-13-7-21(8-14-24)28-26(32)27-20-5-11-23(37-2)12-6-20/h3-14,33H,15-18H2,1-2H3,(H,29,31)(H2,27,28,32)
InChIKeyACXQLYNAGJTDLR-UHFFFAOYSA-N
XLogP3.48
TPSA146.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.61
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide?
The IUPAC name of N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide (CID 71455821) is N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide is COc1ccc(CCN(CCC(=O)NO)S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide?
The InChIKey is ACXQLYNAGJTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O7S/c1-36-22-9-3-19(4-10-22)15-17-30(18-16-25(31)29-33)38(34,35)24-13-7-21(8-14-24)28-26(32)27-20-5-11-23(37-2)12-6-20/h3-14,33H,15-18H2,1-2H3,(H,29,31)(H2,27,28,32).
What are the key properties of N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide?
N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide has a molecular weight of 542.61 g/mol, XLogP of 3.48, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[4-[(4-methoxyphenyl)carbamoylamino]phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 71455821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).