(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide

C20H22ClF3N2O4S — CID 71453378

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClF3N2O4S/c1-13(2)11-18(19(25)27)26(31(28,29)17-9-5-15(21)6-10-17)12-14-3-7-16(8-4-14)30-20(22,23)24/h3-10,13,18H,11-12H2,1-2H3,(H2,25,27)/t18-/m1/s1
InChIKeyJXANVSLOYOVFQI-GOSISDBHSA-N
MW478.92 g/mol
LogP4.33
Rot. Bonds9

About (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide (PubChem CID 71453378) has the molecular formula C20H22ClF3N2O4S and a molecular weight of 478.92 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide
PubChem CID71453378
Molecular FormulaC20H22ClF3N2O4S
Molecular Weight478.92 g/mol
Exact Mass478.09
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClF3N2O4S/c1-13(2)11-18(19(25)27)26(31(28,29)17-9-5-15(21)6-10-17)12-14-3-7-16(8-4-14)30-20(22,23)24/h3-10,13,18H,11-12H2,1-2H3,(H2,25,27)/t18-/m1/s1
InChIKeyJXANVSLOYOVFQI-GOSISDBHSA-N
XLogP4.33
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 54.33
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-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide (CID 71453378) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide?
The InChIKey is JXANVSLOYOVFQI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22ClF3N2O4S/c1-13(2)11-18(19(25)27)26(31(28,29)17-9-5-15(21)6-10-17)12-14-3-7-16(8-4-14)30-20(22,23)24/h3-10,13,18H,11-12H2,1-2H3,(H2,25,27)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide has a molecular weight of 478.92 g/mol, XLogP of 4.33, 9 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-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide is sourced from PubChem (CID 71453378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).