(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide

C17H22ClF3N2O4S — CID 56833944

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESCC1(C)CO[C@H]1CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClF3N2O4S/c1-16(2)10-27-14(16)9-23(13(15(22)24)7-8-17(19,20)21)28(25,26)12-5-3-11(18)4-6-12/h3-6,13-14H,7-10H2,1-2H3,(H2,22,24)/t13-,14+/m1/s1
InChIKeyMNURMQZMJMYZFQ-KGLIPLIRSA-N
MW442.89 g/mol
LogP2.95
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide (PubChem CID 56833944) has the molecular formula C17H22ClF3N2O4S and a molecular weight of 442.89 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
PubChem CID56833944
Molecular FormulaC17H22ClF3N2O4S
Molecular Weight442.89 g/mol
Exact Mass442.09
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESCC1(C)CO[C@H]1CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClF3N2O4S/c1-16(2)10-27-14(16)9-23(13(15(22)24)7-8-17(19,20)21)28(25,26)12-5-3-11(18)4-6-12/h3-6,13-14H,7-10H2,1-2H3,(H2,22,24)/t13-,14+/m1/s1
InChIKeyMNURMQZMJMYZFQ-KGLIPLIRSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide (CID 56833944) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide is CC1(C)CO[C@H]1CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The InChIKey is MNURMQZMJMYZFQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H22ClF3N2O4S/c1-16(2)10-27-14(16)9-23(13(15(22)24)7-8-17(19,20)21)28(25,26)12-5-3-11(18)4-6-12/h3-6,13-14H,7-10H2,1-2H3,(H2,22,24)/t13-,14+/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide has a molecular weight of 442.89 g/mol, XLogP of 2.95, 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)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 56833944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).