(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide

C17H22ClF3N2O4S — CID 56833942

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESCC1(C)C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H22ClF3N2O4S/c1-16(2)9-12(27-16)10-23(14(15(22)24)7-8-17(19,20)21)28(25,26)13-5-3-11(18)4-6-13/h3-6,12,14H,7-10H2,1-2H3,(H2,22,24)/t12-,14-/m1/s1
InChIKeyMEIBAUIZWBBTLF-TZMCWYRMSA-N
MW442.89 g/mol
LogP3.09
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide (PubChem CID 56833942) has the molecular formula C17H22ClF3N2O4S and a molecular weight of 442.89 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
PubChem CID56833942
Molecular FormulaC17H22ClF3N2O4S
Molecular Weight442.89 g/mol
Exact Mass442.09
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESCC1(C)C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H22ClF3N2O4S/c1-16(2)9-12(27-16)10-23(14(15(22)24)7-8-17(19,20)21)28(25,26)13-5-3-11(18)4-6-13/h3-6,12,14H,7-10H2,1-2H3,(H2,22,24)/t12-,14-/m1/s1
InChIKeyMEIBAUIZWBBTLF-TZMCWYRMSA-N
XLogP3.09
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide with MolForge

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide
CID 10310891
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 54669875
(2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide
CID 56833940
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56833941
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56833943
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56833944
(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclobutylmethyl)amino]-5,5,5-trifluoropentanamide
CID 56834044
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56834045
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56834046
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56834047
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(3S)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56834048
(2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide
CID 56834146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide (CID 56833942) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide is CC1(C)C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The InChIKey is MEIBAUIZWBBTLF-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H22ClF3N2O4S/c1-16(2)9-12(27-16)10-23(14(15(22)24)7-8-17(19,20)21)28(25,26)13-5-3-11(18)4-6-13/h3-6,12,14H,7-10H2,1-2H3,(H2,22,24)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide has a molecular weight of 442.89 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 56833942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).