3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide

C17H28N2O3S — CID 60579922

IUPAC3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C17H28N2O3S/c1-6-13(4)14(5)18-17(20)15-10-9-11-16(12-15)23(21,22)19(7-2)8-3/h9-14H,6-8H2,1-5H3,(H,18,20)
InChIKeyCWIINTWAYWGHCQ-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.88
Rot. Bonds8

About 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide

3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide (PubChem CID 60579922) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
PubChem CID60579922
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C17H28N2O3S/c1-6-13(4)14(5)18-17(20)15-10-9-11-16(12-15)23(21,22)19(7-2)8-3/h9-14H,6-8H2,1-5H3,(H,18,20)
InChIKeyCWIINTWAYWGHCQ-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
[1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate
CID 55925997
3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330968
(2S)-3-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 61173413
3-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 16774130
N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 2670766
3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 55591194
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide (CID 60579922) is 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is CWIINTWAYWGHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-13(4)14(5)18-17(20)15-10-9-11-16(12-15)23(21,22)19(7-2)8-3/h9-14H,6-8H2,1-5H3,(H,18,20).
What are the key properties of 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide?
3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 340.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 60579922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).