N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide

C24H35N3O3S — CID 55769177

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)c1
InChIInChI=1S/C24H35N3O3S/c1-6-26(7-2)18-21-12-10-11-20(15-21)17-25-24(28)22-14-13-19(5)23(16-22)31(29,30)27(8-3)9-4/h10-16H,6-9,17-18H2,1-5H3,(H,25,28)
InChIKeyOYQCUDPDFUBJHI-UHFFFAOYSA-N
MW445.63 g/mol
LogP3.80
Rot. Bonds11

About N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide

N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide (PubChem CID 55769177) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
PubChem CID55769177
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)c1
InChIInChI=1S/C24H35N3O3S/c1-6-26(7-2)18-21-12-10-11-20(15-21)17-25-24(28)22-14-13-19(5)23(16-22)31(29,30)27(8-3)9-4/h10-16H,6-9,17-18H2,1-5H3,(H,25,28)
InChIKeyOYQCUDPDFUBJHI-UHFFFAOYSA-N
XLogP3.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728860
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide
CID 47046081
3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55980552

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide (CID 55769177) is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide is CCN(CC)Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)c1.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide?
The InChIKey is OYQCUDPDFUBJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-6-26(7-2)18-21-12-10-11-20(15-21)17-25-24(28)22-14-13-19(5)23(16-22)31(29,30)27(8-3)9-4/h10-16H,6-9,17-18H2,1-5H3,(H,25,28).
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide?
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide has a molecular weight of 445.63 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 55769177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).