3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide

C21H25N3O4S — CID 55483864

IUPAC3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O4S/c1-24(2)29(27,28)18-10-6-7-16(13-18)20(26)22-14-19(25)23-15-21(11-12-21)17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyUHYWTVRBTCRMPY-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.51
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide (PubChem CID 55483864) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
PubChem CID55483864
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O4S/c1-24(2)29(27,28)18-10-6-7-16(13-18)20(26)22-14-19(25)23-15-21(11-12-21)17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyUHYWTVRBTCRMPY-UHFFFAOYSA-N
XLogP1.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
3-(ethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 55523331
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97060754
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116
3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 24548643
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 24544650

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide (CID 55483864) is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2(c3ccccc3)CC2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide?
The InChIKey is UHYWTVRBTCRMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-24(2)29(27,28)18-10-6-7-16(13-18)20(26)22-14-19(25)23-15-21(11-12-21)17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide has a molecular weight of 415.52 g/mol, XLogP of 1.51, 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-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 55483864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).