3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

C16H22F3N3O3S — CID 55716024

IUPAC3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)CC(F)(F)F
InChIInChI=1S/C16H22F3N3O3S/c1-22(11-16(17,18)19)9-3-8-20-15(23)12-4-2-5-14(10-12)26(24,25)21-13-6-7-13/h2,4-5,10,13,21H,3,6-9,11H2,1H3,(H,20,23)
InChIKeyCPSPPBQEVFSNKZ-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.74
Rot. Bonds9

About 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (PubChem CID 55716024) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
PubChem CID55716024
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC Name3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)CC(F)(F)F
InChIInChI=1S/C16H22F3N3O3S/c1-22(11-16(17,18)19)9-3-8-20-15(23)12-4-2-5-14(10-12)26(24,25)21-13-6-7-13/h2,4-5,10,13,21H,3,6-9,11H2,1H3,(H,20,23)
InChIKeyCPSPPBQEVFSNKZ-UHFFFAOYSA-N
XLogP1.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55720773
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
CID 55358618
3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27174310
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55720127

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (CID 55716024) is 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is CN(CCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)CC(F)(F)F.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The InChIKey is CPSPPBQEVFSNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c1-22(11-16(17,18)19)9-3-8-20-15(23)12-4-2-5-14(10-12)26(24,25)21-13-6-7-13/h2,4-5,10,13,21H,3,6-9,11H2,1H3,(H,20,23).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide has a molecular weight of 393.43 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is sourced from PubChem (CID 55716024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).