4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide

C21H28N2O3S — CID 43016057

IUPAC4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-4-17(18-10-8-7-9-11-18)16-22-21(24)19-12-14-20(15-13-19)27(25,26)23(5-2)6-3/h7-15,17H,4-6,16H2,1-3H3,(H,22,24)
InChIKeyVEVFMPNEAUJHRU-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.64
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide

4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide (PubChem CID 43016057) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
PubChem CID43016057
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-4-17(18-10-8-7-9-11-18)16-22-21(24)19-12-14-20(15-13-19)27(25,26)23(5-2)6-3/h7-15,17H,4-6,16H2,1-3H3,(H,22,24)
InChIKeyVEVFMPNEAUJHRU-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
4-(diethylsulfamoyl)-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111975
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064828
4-(furan-2-ylmethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548503
3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
CID 96529266

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide (CID 43016057) is 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide?
The InChIKey is VEVFMPNEAUJHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-17(18-10-8-7-9-11-18)16-22-21(24)19-12-14-20(15-13-19)27(25,26)23(5-2)6-3/h7-15,17H,4-6,16H2,1-3H3,(H,22,24).
What are the key properties of 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide?
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 43016057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).