[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

C18H24FN3O6S — CID 3609518

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O6S/c1-3-20-18(25)21-16(23)12(2)28-17(24)13-8-10-22(11-9-13)29(26,27)15-7-5-4-6-14(15)19/h4-7,12-13H,3,8-11H2,1-2H3,(H2,20,21,23,25)
InChIKeyDUVVIBBOEMVUCH-UHFFFAOYSA-N
MW429.47 g/mol
LogP1.00
Rot. Bonds6

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 3609518) has the molecular formula C18H24FN3O6S and a molecular weight of 429.47 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID3609518
Molecular FormulaC18H24FN3O6S
Molecular Weight429.47 g/mol
Exact Mass429.14
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O6S/c1-3-20-18(25)21-16(23)12(2)28-17(24)13-8-10-22(11-9-13)29(26,27)15-7-5-4-6-14(15)19/h4-7,12-13H,3,8-11H2,1-2H3,(H2,20,21,23,25)
InChIKeyDUVVIBBOEMVUCH-UHFFFAOYSA-N
XLogP1.00
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate (CID 3609518) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate is CCNC(=O)NC(=O)C(C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is DUVVIBBOEMVUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O6S/c1-3-20-18(25)21-16(23)12(2)28-17(24)13-8-10-22(11-9-13)29(26,27)15-7-5-4-6-14(15)19/h4-7,12-13H,3,8-11H2,1-2H3,(H2,20,21,23,25).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 429.47 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 3609518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).