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

C20H26N2O3S — CID 51150482

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-22(2)19(13-16-7-5-4-6-8-16)14-21-20(23)18-11-9-17(10-12-18)15-26(3,24)25/h4-12,19H,13-15H2,1-3H3,(H,21,23)
InChIKeyUUGPWSZKRSFQMW-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.13
Rot. Bonds8

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

N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 51150482) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID51150482
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-22(2)19(13-16-7-5-4-6-8-16)14-21-20(23)18-11-9-17(10-12-18)15-26(3,24)25/h4-12,19H,13-15H2,1-3H3,(H,21,23)
InChIKeyUUGPWSZKRSFQMW-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide
CID 51153670
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8794925
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 41378820
N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55787133
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 40820384
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 27032355
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 4876896

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide (CID 51150482) is N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide is CN(C)C(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is UUGPWSZKRSFQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-22(2)19(13-16-7-5-4-6-8-16)14-21-20(23)18-11-9-17(10-12-18)15-26(3,24)25/h4-12,19H,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide?
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 2.13, 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-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 51150482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).