3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide

C19H25N3O3S — CID 87024649

IUPAC3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)CC(NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-21(2)14-18(15-9-6-5-7-10-15)20-26(24,25)17-12-8-11-16(13-17)19(23)22(3)4/h5-13,18,20H,14H2,1-4H3
InChIKeyGOPSQFUBWNFGDF-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.97
Rot. Bonds7

About 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide

3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 87024649) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide
PubChem CID87024649
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)CC(NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-21(2)14-18(15-9-6-5-7-10-15)20-26(24,25)17-12-8-11-16(13-17)19(23)22(3)4/h5-13,18,20H,14H2,1-4H3
InChIKeyGOPSQFUBWNFGDF-UHFFFAOYSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 54774549
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 55871543
3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide
CID 75394970
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176531
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
2-[[3-[ethyl(methyl)carbamoyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122067792
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide (CID 87024649) is 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide is CN(C)CC(NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is GOPSQFUBWNFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-21(2)14-18(15-9-6-5-7-10-15)20-26(24,25)17-12-8-11-16(13-17)19(23)22(3)4/h5-13,18,20H,14H2,1-4H3.
What are the key properties of 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide?
3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 375.49 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 87024649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).