3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide

C20H24FN3O3S — CID 55358618

IUPAC3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(F)c1
InChIInChI=1S/C20H24FN3O3S/c1-24(2)19(14-5-3-7-16(21)11-14)13-22-20(25)15-6-4-8-18(12-15)28(26,27)23-17-9-10-17/h3-8,11-12,17,19,23H,9-10,13H2,1-2H3,(H,22,25)
InChIKeyOPEZRWGCVMZABS-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.30
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide

3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide (PubChem CID 55358618) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
PubChem CID55358618
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(F)c1
InChIInChI=1S/C20H24FN3O3S/c1-24(2)19(14-5-3-7-16(21)11-14)13-22-20(25)15-6-4-8-18(12-15)28(26,27)23-17-9-10-17/h3-8,11-12,17,19,23H,9-10,13H2,1-2H3,(H,22,25)
InChIKeyOPEZRWGCVMZABS-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525933
3-(cyclopropylsulfamoyl)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525938
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24640055
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43017144
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24640053
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 46647625
4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 42907160
N-cyclopropyl-3-[[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]sulfamoyl]benzamide
CID 97193513
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide (CID 55358618) is 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide is CN(C)C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(F)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is OPEZRWGCVMZABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-24(2)19(14-5-3-7-16(21)11-14)13-22-20(25)15-6-4-8-18(12-15)28(26,27)23-17-9-10-17/h3-8,11-12,17,19,23H,9-10,13H2,1-2H3,(H,22,25).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 55358618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).