N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide

C20H27N3O3S — CID 109064219

IUPACN-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)NCCCN(C)C)c1)c1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-16(17-9-5-4-6-10-17)22-27(25,26)19-12-7-11-18(15-19)20(24)21-13-8-14-23(2)3/h4-7,9-12,15-16,22H,8,13-14H2,1-3H3,(H,21,24)
InChIKeyPNMNCFKTCVTARA-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.41
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide

N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide (PubChem CID 109064219) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
PubChem CID109064219
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)NCCCN(C)C)c1)c1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-16(17-9-5-4-6-10-17)22-27(25,26)19-12-7-11-18(15-19)20(24)21-13-8-14-23(2)3/h4-7,9-12,15-16,22H,8,13-14H2,1-3H3,(H,21,24)
InChIKeyPNMNCFKTCVTARA-UHFFFAOYSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 120655257
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
CID 109064243
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640
N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 78852030
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide (CID 109064219) is N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide is CC(NS(=O)(=O)c1cccc(C(=O)NCCCN(C)C)c1)c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide?
The InChIKey is PNMNCFKTCVTARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16(17-9-5-4-6-10-17)22-27(25,26)19-12-7-11-18(15-19)20(24)21-13-8-14-23(2)3/h4-7,9-12,15-16,22H,8,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide?
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 109064219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).