3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide

C20H25N3O4S — CID 8624154

IUPAC3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
SMILESC[C@@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-15(16-8-5-4-6-9-16)13-21-19(24)14-22-20(25)17-10-7-11-18(12-17)28(26,27)23(2)3/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyOBPPXCUXBHWZJN-HNNXBMFYSA-N
MW403.50 g/mol
LogP1.59
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide (PubChem CID 8624154) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
PubChem CID8624154
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
SMILESC[C@@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-15(16-8-5-4-6-9-16)13-21-19(24)14-22-20(25)17-10-7-11-18(12-17)28(26,27)23(2)3/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyOBPPXCUXBHWZJN-HNNXBMFYSA-N
XLogP1.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
CID 96529266
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 24544650
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
CID 55483864
3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
CID 110355133
3-(dimethylsulfamoyl)-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 24544194
N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9427293

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide (CID 8624154) is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide is C[C@@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide?
The InChIKey is OBPPXCUXBHWZJN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15(16-8-5-4-6-9-16)13-21-19(24)14-22-20(25)17-10-7-11-18(12-17)28(26,27)23(2)3/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide is sourced from PubChem (CID 8624154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).