N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide

C18H27N3O6S — CID 108557729

IUPACN-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H27N3O6S/c1-26-11-12-27-13-17(22)19-15-7-9-21(10-8-15)18(23)14-3-5-16(6-4-14)20-28(2,24)25/h3-6,15,20H,7-13H2,1-2H3,(H,19,22)
InChIKeyKUEUWEHDSQFEFI-UHFFFAOYSA-N
MW413.50 g/mol
LogP0.44
Rot. Bonds9

About N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide

N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide (PubChem CID 108557729) has the molecular formula C18H27N3O6S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
PubChem CID108557729
Molecular FormulaC18H27N3O6S
Molecular Weight413.50 g/mol
Exact Mass413.16
IUPAC NameN-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H27N3O6S/c1-26-11-12-27-13-17(22)19-15-7-9-21(10-8-15)18(23)14-3-5-16(6-4-14)20-28(2,24)25/h3-6,15,20H,7-13H2,1-2H3,(H,19,22)
InChIKeyKUEUWEHDSQFEFI-UHFFFAOYSA-N
XLogP0.44
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557704
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557789
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554693
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564764
N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557706
N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535322
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 60956881
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557702
4-[[4-(methanesulfonamido)benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560518

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide (CID 108557729) is N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is KUEUWEHDSQFEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6S/c1-26-11-12-27-13-17(22)19-15-7-9-21(10-8-15)18(23)14-3-5-16(6-4-14)20-28(2,24)25/h3-6,15,20H,7-13H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 413.50 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 108557729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).