N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

C23H24F3N3O3S — CID 55993419

IUPACN-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1
InChIInChI=1S/C23H24F3N3O3S/c1-17-5-2-3-12-29(17)33(31,32)21-7-4-6-20(13-21)22(30)28(16-23(24,25)26)15-19-10-8-18(14-27)9-11-19/h4,6-11,13,17H,2-3,5,12,15-16H2,1H3
InChIKeyMQUIGCRGLCGSCQ-UHFFFAOYSA-N
MW479.52 g/mol
LogP4.33
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55993419) has the molecular formula C23H24F3N3O3S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55993419
Molecular FormulaC23H24F3N3O3S
Molecular Weight479.52 g/mol
Exact Mass479.15
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1
InChIInChI=1S/C23H24F3N3O3S/c1-17-5-2-3-12-29(17)33(31,32)21-7-4-6-20(13-21)22(30)28(16-23(24,25)26)15-19-10-8-18(14-27)9-11-19/h4,6-11,13,17H,2-3,5,12,15-16H2,1H3
InChIKeyMQUIGCRGLCGSCQ-UHFFFAOYSA-N
XLogP4.33
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55452872
N-[(4-cyanophenyl)methyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55769720
N-[(4-cyanophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55769687
N-[(4-cyanophenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55993802
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
[(1S)-1-cyanoethyl] 3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829715
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-[(4-cyanophenyl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylbenzamide
CID 39858935
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829674
N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55918100
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (CID 55993419) is N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MQUIGCRGLCGSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3S/c1-17-5-2-3-12-29(17)33(31,32)21-7-4-6-20(13-21)22(30)28(16-23(24,25)26)15-19-10-8-18(14-27)9-11-19/h4,6-11,13,17H,2-3,5,12,15-16H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 479.52 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55993419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).