N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide

C24H28N4O5S — CID 39717055

IUPACN,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C24H28N4O5S/c1-3-28(4-2)34(31,32)20-13-8-12-19(16-20)24(30)27-26-22(29)14-9-15-23-25-17-21(33-23)18-10-6-5-7-11-18/h5-8,10-13,16-17H,3-4,9,14-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWTFQVTGBISWWIC-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.16
Rot. Bonds10

About N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide

N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide (PubChem CID 39717055) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide
PubChem CID39717055
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C24H28N4O5S/c1-3-28(4-2)34(31,32)20-13-8-12-19(16-20)24(30)27-26-22(29)14-9-15-23-25-17-21(33-23)18-10-6-5-7-11-18/h5-8,10-13,16-17H,3-4,9,14-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWTFQVTGBISWWIC-UHFFFAOYSA-N
XLogP3.16
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55684907
3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 46689686
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 38937435
N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26654618
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 2712341
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide (CID 39717055) is N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide?
The InChIKey is WTFQVTGBISWWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-3-28(4-2)34(31,32)20-13-8-12-19(16-20)24(30)27-26-22(29)14-9-15-23-25-17-21(33-23)18-10-6-5-7-11-18/h5-8,10-13,16-17H,3-4,9,14-15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide?
N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide has a molecular weight of 484.58 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 39717055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).