N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide

C25H27N3O5S — CID 26654618

IUPACN,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C25H27N3O5S/c1-3-28(4-2)34(31,32)23-15-9-13-21(17-23)25(30)27-26-24(29)20-12-8-14-22(16-20)33-18-19-10-6-5-7-11-19/h5-17H,3-4,18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDKBBKKBBTJGDAR-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.37
Rot. Bonds9

About N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide

N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 26654618) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID26654618
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C25H27N3O5S/c1-3-28(4-2)34(31,32)23-15-9-13-21(17-23)25(30)27-26-24(29)20-12-8-14-22(16-20)33-18-19-10-6-5-7-11-19/h5-17H,3-4,18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDKBBKKBBTJGDAR-UHFFFAOYSA-N
XLogP3.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
2-methyl-N'-(3-phenylmethoxybenzoyl)benzohydrazide
CID 46520493
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[(2S)-1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 24539961
3-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzoic acid
CID 45396817
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide (CID 26654618) is N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is DKBBKKBBTJGDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-3-28(4-2)34(31,32)23-15-9-13-21(17-23)25(30)27-26-24(29)20-12-8-14-22(16-20)33-18-19-10-6-5-7-11-19/h5-17H,3-4,18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 481.57 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 26654618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).