(R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide

C25H27NOS — CID 146164224

IUPAC(R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](/C=C/c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H27NOS/c1-25(2,3)28(27)26-24(19-18-20-12-6-4-7-13-20)23-17-11-10-16-22(23)21-14-8-5-9-15-21/h4-19,24,26H,1-3H3/b19-18+/t24-,28-/m1/s1
InChIKeyZOPOMDJFJHQROC-SGVRKGSXSA-N
MW389.56 g/mol
LogP6.16
Rot. Bonds6

About (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide

(R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide (PubChem CID 146164224) has the molecular formula C25H27NOS and a molecular weight of 389.56 g/mol. Its IUPAC name is (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide
PubChem CID146164224
Molecular FormulaC25H27NOS
Molecular Weight389.56 g/mol
Exact Mass389.18
IUPAC Name(R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](/C=C/c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H27NOS/c1-25(2,3)28(27)26-24(19-18-20-12-6-4-7-13-20)23-17-11-10-16-22(23)21-14-8-5-9-15-21/h4-19,24,26H,1-3H3/b19-18+/t24-,28-/m1/s1
InChIKeyZOPOMDJFJHQROC-SGVRKGSXSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide (CID 146164224) is (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H](/C=C/c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide?
The InChIKey is ZOPOMDJFJHQROC-SGVRKGSXSA-N. The full InChI is InChI=1S/C25H27NOS/c1-25(2,3)28(27)26-24(19-18-20-12-6-4-7-13-20)23-17-11-10-16-22(23)21-14-8-5-9-15-21/h4-19,24,26H,1-3H3/b19-18+/t24-,28-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide has a molecular weight of 389.56 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide is sourced from PubChem (CID 146164224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).