N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide

C15H21FN4O5S — CID 156647748

IUPACN-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide
SMILESCCNC(=O)C(=O)N1CCC(NS(=O)(=O)c2cn(C)c(C=O)c2F)CC1
InChIInChI=1S/C15H21FN4O5S/c1-3-17-14(22)15(23)20-6-4-10(5-7-20)18-26(24,25)12-8-19(2)11(9-21)13(12)16/h8-10,18H,3-7H2,1-2H3,(H,17,22)
InChIKeyRULUYKWADSMKBE-UHFFFAOYSA-N
MW388.42 g/mol
LogP-0.62
Rot. Bonds5

About N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide

N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide (PubChem CID 156647748) has the molecular formula C15H21FN4O5S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide
PubChem CID156647748
Molecular FormulaC15H21FN4O5S
Molecular Weight388.42 g/mol
Exact Mass388.12
IUPAC NameN-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide
SMILESCCNC(=O)C(=O)N1CCC(NS(=O)(=O)c2cn(C)c(C=O)c2F)CC1
InChIInChI=1S/C15H21FN4O5S/c1-3-17-14(22)15(23)20-6-4-10(5-7-20)18-26(24,25)12-8-19(2)11(9-21)13(12)16/h8-10,18H,3-7H2,1-2H3,(H,17,22)
InChIKeyRULUYKWADSMKBE-UHFFFAOYSA-N
XLogP-0.62
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-4-[[(4R)-1-[2-(ethylamino)-2-oxoacetyl]-3,3-difluoropiperidin-4-yl]sulfamoyl]-3-fluoro-1-methylpyrrole-2-carboxamide
CID 163201915
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
N-cyclobutyl-5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105121638
2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 52767566
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
tert-butyl 4-[[5-(4-fluorophenyl)sulfonyl-2-propylphenyl]sulfonylamino]piperidine-1-carboxylate
CID 57430429
4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide
CID 144898807
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
CID 69166315
N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide
CID 70931231
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide (CID 156647748) is N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide is CCNC(=O)C(=O)N1CCC(NS(=O)(=O)c2cn(C)c(C=O)c2F)CC1.
What is the InChIKey of N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is RULUYKWADSMKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O5S/c1-3-17-14(22)15(23)20-6-4-10(5-7-20)18-26(24,25)12-8-19(2)11(9-21)13(12)16/h8-10,18H,3-7H2,1-2H3,(H,17,22).
What are the key properties of N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide?
N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 388.42 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(4-fluoro-5-formyl-1-methylpyrrol-3-yl)sulfonylamino]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 156647748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).