N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide

C25H32F3N3O4S — CID 24882802

IUPACN-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCC(N(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H32F3N3O4S/c1-18(2)31(36(33,34)21-8-6-7-19(17-21)25(26,27)28)20-11-14-30(15-12-20)16-13-24(32)29-22-9-4-5-10-23(22)35-3/h4-10,17-18,20H,11-16H2,1-3H3,(H,29,32)
InChIKeyYTQIIUNXCGUGRI-UHFFFAOYSA-N
MW527.61 g/mol
LogP4.61
Rot. Bonds9

About N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide

N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide (PubChem CID 24882802) has the molecular formula C25H32F3N3O4S and a molecular weight of 527.61 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide
PubChem CID24882802
Molecular FormulaC25H32F3N3O4S
Molecular Weight527.61 g/mol
Exact Mass527.21
IUPAC NameN-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCC(N(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H32F3N3O4S/c1-18(2)31(36(33,34)21-8-6-7-19(17-21)25(26,27)28)20-11-14-30(15-12-20)16-13-24(32)29-22-9-4-5-10-23(22)35-3/h4-10,17-18,20H,11-16H2,1-3H3,(H,29,32)
InChIKeyYTQIIUNXCGUGRI-UHFFFAOYSA-N
XLogP4.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.61
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanoate
CID 59161865
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
N-[1-(azetidine-3-carbonyl)piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 24882798
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
3-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 24589076
(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
ethyl 3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanoate;ethyl prop-2-enoate;piperidine;N-piperidin-4-yl-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide;trimethylalumane;hydrochloride
CID 161106553
N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 24860820
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892621
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide (CID 24882802) is N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide is COc1ccccc1NC(=O)CCN1CCC(N(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide?
The InChIKey is YTQIIUNXCGUGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O4S/c1-18(2)31(36(33,34)21-8-6-7-19(17-21)25(26,27)28)20-11-14-30(15-12-20)16-13-24(32)29-22-9-4-5-10-23(22)35-3/h4-10,17-18,20H,11-16H2,1-3H3,(H,29,32).
What are the key properties of N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide?
N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide has a molecular weight of 527.61 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanamide is sourced from PubChem (CID 24882802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).