N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide

C20H29F2N3O4S — CID 55388525

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H29F2N3O4S/c1-5-24(13-18(26)23-20(2,3)4)19(27)14-8-10-25(11-9-14)30(28,29)17-12-15(21)6-7-16(17)22/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,26)
InChIKeyJDOCUTSFKFUCIV-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide (PubChem CID 55388525) has the molecular formula C20H29F2N3O4S and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
PubChem CID55388525
Molecular FormulaC20H29F2N3O4S
Molecular Weight445.53 g/mol
Exact Mass445.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H29F2N3O4S/c1-5-24(13-18(26)23-20(2,3)4)19(27)14-8-10-25(11-9-14)30(28,29)17-12-15(21)6-7-16(17)22/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,26)
InChIKeyJDOCUTSFKFUCIV-UHFFFAOYSA-N
XLogP2.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-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]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55413326
1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134058743
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55460150
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
N-tert-butyl-2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843472
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 55918606
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592825
tert-butyl 4-[1-(2,5-difluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 46511637
1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27676149
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55460078

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide (CID 55388525) is N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The InChIKey is JDOCUTSFKFUCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O4S/c1-5-24(13-18(26)23-20(2,3)4)19(27)14-8-10-25(11-9-14)30(28,29)17-12-15(21)6-7-16(17)22/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 2.13, 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]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 55388525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).