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

C20H27N3O3S — CID 8794851

IUPACN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-22(2)18(13-16-9-6-5-7-10-16)15-21-20(24)17-11-8-12-19(14-17)27(25,26)23(3)4/h5-12,14,18H,13,15H2,1-4H3,(H,21,24)/t18-/m0/s1
InChIKeyXQMFTRKDZIMRLO-SFHVURJKSA-N
MW389.52 g/mol
LogP1.84
Rot. Bonds8

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

N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 8794851) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID8794851
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1
InChIInChI=1S/C20H27N3O3S/c1-22(2)18(13-16-9-6-5-7-10-16)15-21-20(24)17-11-8-12-19(14-17)27(25,26)23(3)4/h5-12,14,18H,13,15H2,1-4H3,(H,21,24)/t18-/m0/s1
InChIKeyXQMFTRKDZIMRLO-SFHVURJKSA-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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Related Compounds

3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
CID 110355133
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8794882
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8656008
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542716
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 24542710
4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 4876896
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
CID 8916153

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide (CID 8794851) is N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide is CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is XQMFTRKDZIMRLO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-22(2)18(13-16-9-6-5-7-10-16)15-21-20(24)17-11-8-12-19(14-17)27(25,26)23(3)4/h5-12,14,18H,13,15H2,1-4H3,(H,21,24)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide?
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(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-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 8794851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).