(R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

C18H23NO2S — CID 46187627

IUPAC(R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H23NO2S/c1-18(2,3)22(20)19-17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)21-4/h5-13,17,19H,1-4H3/t17-,22+/m0/s1
InChIKeyUATCBOGJJSYQJW-HTAPYJJXSA-N
MW317.45 g/mol
LogP3.84
Rot. Bonds5

About (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 46187627) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID46187627
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name(R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H23NO2S/c1-18(2,3)22(20)19-17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)21-4/h5-13,17,19H,1-4H3/t17-,22+/m0/s1
InChIKeyUATCBOGJJSYQJW-HTAPYJJXSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (CID 46187627) is (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is COc1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is UATCBOGJJSYQJW-HTAPYJJXSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-18(2,3)22(20)19-17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)21-4/h5-13,17,19H,1-4H3/t17-,22+/m0/s1.
What are the key properties of (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 317.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 46187627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).