N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide

C23H33N3O3S — CID 24504746

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1C
InChIInChI=1S/C23H33N3O3S/c1-6-26(7-2)16-20-11-9-8-10-19(20)15-24-23(27)22-14-21(13-12-18(22)5)30(28,29)25-17(3)4/h8-14,17,25H,6-7,15-16H2,1-5H3,(H,24,27)
InChIKeyYIIFUMQYQQOTMA-UHFFFAOYSA-N
MW431.60 g/mol
LogP3.45
Rot. Bonds10

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 24504746) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID24504746
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1C
InChIInChI=1S/C23H33N3O3S/c1-6-26(7-2)16-20-11-9-8-10-19(20)15-24-23(27)22-14-21(13-12-18(22)5)30(28,29)25-17(3)4/h8-14,17,25H,6-7,15-16H2,1-5H3,(H,24,27)
InChIKeyYIIFUMQYQQOTMA-UHFFFAOYSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylsulfonylbenzamide
CID 31311834
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24614043
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 41439050
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55818783
2-chloro-N-[(2-phenylmethoxyphenyl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55806149
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
CID 41439169
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24504740
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide (CID 24504746) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide is CCN(CC)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1C.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is YIIFUMQYQQOTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-6-26(7-2)16-20-11-9-8-10-19(20)15-24-23(27)22-14-21(13-12-18(22)5)30(28,29)25-17(3)4/h8-14,17,25H,6-7,15-16H2,1-5H3,(H,24,27).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 431.60 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 24504746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).