N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide

C19H23N3O5S2 — CID 2712341

IUPACN,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C19H23N3O5S2/c1-3-22(4-2)29(26,27)15-8-5-7-14(13-15)19(25)21-20-18(24)11-10-16(23)17-9-6-12-28-17/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWZENYNRLKOUEMR-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.20
Rot. Bonds9

About N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide

N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 2712341) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID2712341
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC NameN,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C19H23N3O5S2/c1-3-22(4-2)29(26,27)15-8-5-7-14(13-15)19(25)21-20-18(24)11-10-16(23)17-9-6-12-28-17/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWZENYNRLKOUEMR-UHFFFAOYSA-N
XLogP2.20
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide 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,N-dimethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 9473120
N,N-diethyl-3-[[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]carbamoyl]benzenesulfonamide
CID 39039916
N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 30452714
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 25494413
N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 34524023
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2712357
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469920
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide (CID 2712341) is N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)c2cccs2)c1.
What is the InChIKey of N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is WZENYNRLKOUEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-3-22(4-2)29(26,27)15-8-5-7-14(13-15)19(25)21-20-18(24)11-10-16(23)17-9-6-12-28-17/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide?
N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 437.54 g/mol, XLogP of 2.20, 9 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-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 2712341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).