(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide

C20H20ClF3N2O3S — CID 71449733

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide
SMILESNC(=O)[C@@H](CC1CC1)N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClF3N2O3S/c21-16-7-9-17(10-8-16)30(28,29)26(18(19(25)27)11-13-1-2-13)12-14-3-5-15(6-4-14)20(22,23)24/h3-10,13,18H,1-2,11-12H2,(H2,25,27)/t18-/m1/s1
InChIKeyLSRTZFPUIYNKIE-GOSISDBHSA-N
MW460.91 g/mol
LogP4.20
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide (PubChem CID 71449733) has the molecular formula C20H20ClF3N2O3S and a molecular weight of 460.91 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide
PubChem CID71449733
Molecular FormulaC20H20ClF3N2O3S
Molecular Weight460.91 g/mol
Exact Mass460.08
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide
SMILESNC(=O)[C@@H](CC1CC1)N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClF3N2O3S/c21-16-7-9-17(10-8-16)30(28,29)26(18(19(25)27)11-13-1-2-13)12-14-3-5-15(6-4-14)20(22,23)24/h3-10,13,18H,1-2,11-12H2,(H2,25,27)/t18-/m1/s1
InChIKeyLSRTZFPUIYNKIE-GOSISDBHSA-N
XLogP4.20
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.91
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide (CID 71449733) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide is NC(=O)[C@@H](CC1CC1)N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide?
The InChIKey is LSRTZFPUIYNKIE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClF3N2O3S/c21-16-7-9-17(10-8-16)30(28,29)26(18(19(25)27)11-13-1-2-13)12-14-3-5-15(6-4-14)20(22,23)24/h3-10,13,18H,1-2,11-12H2,(H2,25,27)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide has a molecular weight of 460.91 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide is sourced from PubChem (CID 71449733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).