N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide

C21H30F3N3O5S — CID 55838634

IUPACN-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C21H30F3N3O5S/c1-2-3-4-12-25-20(29)16-10-14-27(15-11-16)19(28)9-13-26-33(30,31)18-7-5-17(6-8-18)32-21(22,23)24/h5-8,16,26H,2-4,9-15H2,1H3,(H,25,29)
InChIKeyKZYCFZFYWUGTLI-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.80
Rot. Bonds11

About N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide

N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide (PubChem CID 55838634) has the molecular formula C21H30F3N3O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide
PubChem CID55838634
Molecular FormulaC21H30F3N3O5S
Molecular Weight493.55 g/mol
Exact Mass493.19
IUPAC NameN-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C21H30F3N3O5S/c1-2-3-4-12-25-20(29)16-10-14-27(15-11-16)19(28)9-13-26-33(30,31)18-7-5-17(6-8-18)32-21(22,23)24/h5-8,16,26H,2-4,9-15H2,1H3,(H,25,29)
InChIKeyKZYCFZFYWUGTLI-UHFFFAOYSA-N
XLogP2.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
CID 55718225
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 26535145
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55376416
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
N-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide
CID 55845210
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide
CID 55863577
1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
CID 55718134
1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
CID 55717756

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide (CID 55838634) is N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide?
The InChIKey is KZYCFZFYWUGTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O5S/c1-2-3-4-12-25-20(29)16-10-14-27(15-11-16)19(28)9-13-26-33(30,31)18-7-5-17(6-8-18)32-21(22,23)24/h5-8,16,26H,2-4,9-15H2,1H3,(H,25,29).
What are the key properties of N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide?
N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide has a molecular weight of 493.55 g/mol, XLogP of 2.80, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55838634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).