N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide

C19H18F3N3O5S — CID 134000288

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18F3N3O5S/c20-19(21,22)12-3-4-16(14(10-12)25(28)29)31-11-17(26)23-13-5-7-24(8-6-13)18(27)15-2-1-9-30-15/h1-4,9-10,13H,5-8,11H2,(H,23,26)
InChIKeyUEDLYNTYECPAHD-UHFFFAOYSA-N
MW457.43 g/mol
LogP3.72
Rot. Bonds6

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 134000288) has the molecular formula C19H18F3N3O5S and a molecular weight of 457.43 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID134000288
Molecular FormulaC19H18F3N3O5S
Molecular Weight457.43 g/mol
Exact Mass457.09
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18F3N3O5S/c20-19(21,22)12-3-4-16(14(10-12)25(28)29)31-11-17(26)23-13-5-7-24(8-6-13)18(27)15-2-1-9-30-15/h1-4,9-10,13H,5-8,11H2,(H,23,26)
InChIKeyUEDLYNTYECPAHD-UHFFFAOYSA-N
XLogP3.72
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide 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-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 24665913
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 134000230
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 43397740
N-(1-acetylpiperidin-4-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
CID 75435434
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 46525194
ethyl 3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]-5-nitrobenzoate
CID 16962526
N-(3-nitrophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 26561922
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 46656593
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35864916
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 35770177

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide (CID 134000288) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide is O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is UEDLYNTYECPAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O5S/c20-19(21,22)12-3-4-16(14(10-12)25(28)29)31-11-17(26)23-13-5-7-24(8-6-13)18(27)15-2-1-9-30-15/h1-4,9-10,13H,5-8,11H2,(H,23,26).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 457.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 134000288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).