N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide

C20H27N3O3S — CID 4876888

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-22(2)18(14-16-8-6-5-7-9-16)15-21-20(24)17-10-12-19(13-11-17)27(25,26)23(3)4/h5-13,18H,14-15H2,1-4H3,(H,21,24)
InChIKeyLXLBHWRLGRPDMZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP1.84
Rot. Bonds8

About N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide

N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 4876888) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID4876888
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-22(2)18(14-16-8-6-5-7-9-16)15-21-20(24)17-10-12-19(13-11-17)27(25,26)23(3)4/h5-13,18H,14-15H2,1-4H3,(H,21,24)
InChIKeyLXLBHWRLGRPDMZ-UHFFFAOYSA-N
XLogP1.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide (CID 4876888) is N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide is CN(C)C(CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is LXLBHWRLGRPDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-22(2)18(14-16-8-6-5-7-9-16)15-21-20(24)17-10-12-19(13-11-17)27(25,26)23(3)4/h5-13,18H,14-15H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide?
N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 389.52 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 4876888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).