N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

C19H24ClN3O3S — CID 92663766

IUPACN-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN3O3S/c1-22(2)27(25,26)23(3)18-12-8-16(9-13-18)19(24)21-14-4-5-15-6-10-17(20)11-7-15/h6-13H,4-5,14H2,1-3H3,(H,21,24)
InChIKeyDUKCDNAAFHSKHI-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.95
Rot. Bonds8

About N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (PubChem CID 92663766) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
PubChem CID92663766
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN3O3S/c1-22(2)27(25,26)23(3)18-12-8-16(9-13-18)19(24)21-14-4-5-15-6-10-17(20)11-7-15/h6-13H,4-5,14H2,1-3H3,(H,21,24)
InChIKeyDUKCDNAAFHSKHI-UHFFFAOYSA-N
XLogP2.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide
CID 92682960
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide
CID 92663771
N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 13322356
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53283301
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664163
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891232
N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 53280666
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (CID 92663766) is N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The InChIKey is DUKCDNAAFHSKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-22(2)27(25,26)23(3)18-12-8-16(9-13-18)19(24)21-14-4-5-15-6-10-17(20)11-7-15/h6-13H,4-5,14H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide has a molecular weight of 409.94 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide is sourced from PubChem (CID 92663766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).