N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide

C17H20N2O3S — CID 100623214

IUPACN-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C17H20N2O3S/c1-3-19(13-14-8-5-4-6-9-14)17(20)15-10-7-11-16(12-15)23(21,22)18-2/h4-12,18H,3,13H2,1-2H3
InChIKeyRYRYHWZBADRMQH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.26
Rot. Bonds6

About N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide

N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide (PubChem CID 100623214) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
PubChem CID100623214
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C17H20N2O3S/c1-3-19(13-14-8-5-4-6-9-14)17(20)15-10-7-11-16(12-15)23(21,22)18-2/h4-12,18H,3,13H2,1-2H3
InChIKeyRYRYHWZBADRMQH-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
3-[benzyl(ethyl)carbamoyl]benzoic acid
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[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 2607540
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 9094420
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55915255
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895
N-benzyl-N-butan-2-yl-3-(ethylsulfamoyl)benzamide
CID 56536496

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide (CID 100623214) is N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide is CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide?
The InChIKey is RYRYHWZBADRMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-19(13-14-8-5-4-6-9-14)17(20)15-10-7-11-16(12-15)23(21,22)18-2/h4-12,18H,3,13H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide?
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 100623214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).