N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C26H40F3N3O3S — CID 24877155

IUPACN-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CCN[C@@H](CC(C)C)C(=O)N1CCCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C26H40F3N3O3S/c1-18(2)12-13-30-24(15-19(3)4)25(33)31-14-6-8-22(17-31)32(21-10-11-21)36(34,35)23-9-5-7-20(16-23)26(27,28)29/h5,7,9,16,18-19,21-22,24,30H,6,8,10-15,17H2,1-4H3/t22?,24-/m0/s1
InChIKeyIOHSOUSZBWYFIG-GITCGBDTSA-N
MW531.69 g/mol
LogP4.90
Rot. Bonds11

About N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 24877155) has the molecular formula C26H40F3N3O3S and a molecular weight of 531.69 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID24877155
Molecular FormulaC26H40F3N3O3S
Molecular Weight531.69 g/mol
Exact Mass531.27
IUPAC NameN-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CCN[C@@H](CC(C)C)C(=O)N1CCCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C26H40F3N3O3S/c1-18(2)12-13-30-24(15-19(3)4)25(33)31-14-6-8-22(17-31)32(21-10-11-21)36(34,35)23-9-5-7-20(16-23)26(27,28)29/h5,7,9,16,18-19,21-22,24,30H,6,8,10-15,17H2,1-4H3/t22?,24-/m0/s1
InChIKeyIOHSOUSZBWYFIG-GITCGBDTSA-N
XLogP4.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.69
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide 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-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 24877270
N-methyl-N-[1-[(2R)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11669562
2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 161040678
N-cyclopropyl-3-fluoro-N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]benzenesulfonamide
CID 68983750
(E)-but-2-enedioic acid;N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 68986321
N-cyclopropyl-N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23642157
N-cyclopropyl-N-[1-[2-(methylamino)-3-(3-methylphenyl)propanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 68984680
N-[1-(3-amino-5-methylhexanoyl)-2-iodopiperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 69406115
2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 23642055
N-[1-[3-(aminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 86813747
methyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]benzoate
CID 25235371
N-cyclopropyl-N-[1-(5-fluoro-2-methylsulfonylbenzoyl)azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 72544206

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 24877155) is N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is CC(C)CCN[C@@H](CC(C)C)C(=O)N1CCCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IOHSOUSZBWYFIG-GITCGBDTSA-N. The full InChI is InChI=1S/C26H40F3N3O3S/c1-18(2)12-13-30-24(15-19(3)4)25(33)31-14-6-8-22(17-31)32(21-10-11-21)36(34,35)23-9-5-7-20(16-23)26(27,28)29/h5,7,9,16,18-19,21-22,24,30H,6,8,10-15,17H2,1-4H3/t22?,24-/m0/s1.
What are the key properties of N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 531.69 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24877155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).