(R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide

C19H23NOS — CID 71664067

IUPAC(R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide
SMILESC=CC[C@H](N[S@](=O)C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-4-11-18(16-12-7-5-8-13-16)20-22(21)19(2,3)17-14-9-6-10-15-17/h4-10,12-15,18,20H,1,11H2,2-3H3/t18-,22+/m0/s1
InChIKeyAEZTYTLUEAERID-PGRDOPGGSA-N
MW313.47 g/mol
LogP4.49
Rot. Bonds7

About (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide

(R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide (PubChem CID 71664067) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide
PubChem CID71664067
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide
SMILESC=CC[C@H](N[S@](=O)C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-4-11-18(16-12-7-5-8-13-16)20-22(21)19(2,3)17-14-9-6-10-15-17/h4-10,12-15,18,20H,1,11H2,2-3H3/t18-,22+/m0/s1
InChIKeyAEZTYTLUEAERID-PGRDOPGGSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 26482
CID 26482
CID 2724998
CID 2724998
CID 6931238
CID 6931238
CID 6931234
CID 6931234
CID 110695
CID 110695
CID 380740
CID 380740
CID 91161
CID 91161
CID 99969
CID 99969
CID 6612782
CID 6612782
CID 3122816
CID 3122816
CID 1383071
CID 1383071
CID 2914449
CID 2914449

Frequently Asked Questions

What is the IUPAC name of (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide (CID 71664067) is (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide is C=CC[C@H](N[S@](=O)C(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide?
The InChIKey is AEZTYTLUEAERID-PGRDOPGGSA-N. The full InChI is InChI=1S/C19H23NOS/c1-4-11-18(16-12-7-5-8-13-16)20-22(21)19(2,3)17-14-9-6-10-15-17/h4-10,12-15,18,20H,1,11H2,2-3H3/t18-,22+/m0/s1.
What are the key properties of (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide?
(R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide has a molecular weight of 313.47 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide is sourced from PubChem (CID 71664067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).