N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

C25H37N3O3S — CID 31640298

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C25H37N3O3S/c1-5-27(6-2)20-23-12-10-9-11-22(23)19-26-25(29)18-15-21-13-16-24(17-14-21)32(30,31)28(7-3)8-4/h9-14,16-17H,5-8,15,18-20H2,1-4H3,(H,26,29)
InChIKeyVVNULHSOHGVNDR-UHFFFAOYSA-N
MW459.66 g/mol
LogP3.81
Rot. Bonds13

About N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 31640298) has the molecular formula C25H37N3O3S and a molecular weight of 459.66 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID31640298
Molecular FormulaC25H37N3O3S
Molecular Weight459.66 g/mol
Exact Mass459.26
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C25H37N3O3S/c1-5-27(6-2)20-23-12-10-9-11-22(23)19-26-25(29)18-15-21-13-16-24(17-14-21)32(30,31)28(7-3)8-4/h9-14,16-17H,5-8,15,18-20H2,1-4H3,(H,26,29)
InChIKeyVVNULHSOHGVNDR-UHFFFAOYSA-N
XLogP3.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 33281109
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 52525151
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35380229
N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55578028
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27658888
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46455661
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 31640298) is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)Cc1ccccc1CNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is VVNULHSOHGVNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3S/c1-5-27(6-2)20-23-12-10-9-11-22(23)19-26-25(29)18-15-21-13-16-24(17-14-21)32(30,31)28(7-3)8-4/h9-14,16-17H,5-8,15,18-20H2,1-4H3,(H,26,29).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 459.66 g/mol, XLogP of 3.81, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 31640298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).