N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C20H30FN3O4S — CID 55413326

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H30FN3O4S/c1-5-23(14-18(25)22-20(2,3)4)19(26)15-7-6-12-24(13-15)29(27,28)17-10-8-16(21)9-11-17/h8-11,15H,5-7,12-14H2,1-4H3,(H,22,25)
InChIKeyXRBRVULLANDYEM-UHFFFAOYSA-N
MW427.54 g/mol
LogP1.99
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 55413326) has the molecular formula C20H30FN3O4S and a molecular weight of 427.54 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID55413326
Molecular FormulaC20H30FN3O4S
Molecular Weight427.54 g/mol
Exact Mass427.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H30FN3O4S/c1-5-23(14-18(25)22-20(2,3)4)19(26)15-7-6-12-24(13-15)29(27,28)17-10-8-16(21)9-11-17/h8-11,15H,5-7,12-14H2,1-4H3,(H,22,25)
InChIKeyXRBRVULLANDYEM-UHFFFAOYSA-N
XLogP1.99
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide 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-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 55388525
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 23992171
N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3863405
N-[3-(aminomethyl)pentan-3-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 119568726
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
1-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 3846784
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46401961
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119441227

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 55413326) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is XRBRVULLANDYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O4S/c1-5-23(14-18(25)22-20(2,3)4)19(26)15-7-6-12-24(13-15)29(27,28)17-10-8-16(21)9-11-17/h8-11,15H,5-7,12-14H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 427.54 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55413326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).