N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide

C20H29N3O5S — CID 59704817

IUPACN-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
SMILESCC(C)CC#Cc1ccc(N(CC(C(=O)NO)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H29N3O5S/c1-16(2)5-4-6-17-7-9-18(10-8-17)23(29(3,26)27)15-19(20(24)21-25)22-11-13-28-14-12-22/h7-10,16,19,25H,5,11-15H2,1-3H3,(H,21,24)
InChIKeyIPNWFEBZJVTDRE-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.06
Rot. Bonds7

About N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide

N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide (PubChem CID 59704817) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
PubChem CID59704817
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
SMILESCC(C)CC#Cc1ccc(N(CC(C(=O)NO)N2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H29N3O5S/c1-16(2)5-4-6-17-7-9-18(10-8-17)23(29(3,26)27)15-19(20(24)21-25)22-11-13-28-14-12-22/h7-10,16,19,25H,5,11-15H2,1-3H3,(H,21,24)
InChIKeyIPNWFEBZJVTDRE-UHFFFAOYSA-N
XLogP1.06
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.06
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide (CID 59704817) is N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide is CC(C)CC#Cc1ccc(N(CC(C(=O)NO)N2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
The InChIKey is IPNWFEBZJVTDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-16(2)5-4-6-17-7-9-18(10-8-17)23(29(3,26)27)15-19(20(24)21-25)22-11-13-28-14-12-22/h7-10,16,19,25H,5,11-15H2,1-3H3,(H,21,24).
What are the key properties of N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide has a molecular weight of 423.54 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(4-methylpent-1-ynyl)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 59704817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).