3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide

C21H28N2O3S — CID 27647029

IUPAC3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCCc2ccccc2)ccc1C
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)27(25,26)20-16-19(14-13-17(20)3)21(24)22-15-9-12-18-10-7-6-8-11-18/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3,(H,22,24)
InChIKeyQHHVEDNTMIWYNQ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.39
Rot. Bonds9

About 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide

3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide (PubChem CID 27647029) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
PubChem CID27647029
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCCc2ccccc2)ccc1C
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)27(25,26)20-16-19(14-13-17(20)3)21(24)22-15-9-12-18-10-7-6-8-11-18/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3,(H,22,24)
InChIKeyQHHVEDNTMIWYNQ-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
CID 55710404
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55769177
4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)benzamide
CID 99968757
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide (CID 27647029) is 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCc2ccccc2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide?
The InChIKey is QHHVEDNTMIWYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-23(5-2)27(25,26)20-16-19(14-13-17(20)3)21(24)22-15-9-12-18-10-7-6-8-11-18/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3,(H,22,24).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide?
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 27647029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).