2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide

C16H16N2O4S — CID 11850993

IUPAC2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C[S@@](=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H16N2O4S/c1-12(13-5-3-2-4-6-13)17-16(19)11-23(22)15-9-7-14(8-10-15)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)/t12-,23+/m0/s1
InChIKeyCGIAAXWLRCKBBZ-DAOPMYJZSA-N
MW332.38 g/mol
LogP2.58
Rot. Bonds6

About 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide

2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 11850993) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID11850993
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C[S@@](=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H16N2O4S/c1-12(13-5-3-2-4-6-13)17-16(19)11-23(22)15-9-7-14(8-10-15)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)/t12-,23+/m0/s1
InChIKeyCGIAAXWLRCKBBZ-DAOPMYJZSA-N
XLogP2.58
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide (CID 11850993) is 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)C[S@@](=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is CGIAAXWLRCKBBZ-DAOPMYJZSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-12(13-5-3-2-4-6-13)17-16(19)11-23(22)15-9-7-14(8-10-15)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)/t12-,23+/m0/s1.
What are the key properties of 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide?
2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-nitrophenyl)sulfinyl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 11850993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).