N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide

C16H18N2O3S — CID 130441816

IUPACN-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)NOSc1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O3S/c1-17-16(20)9-7-14(11-19)18-21-22-15-8-6-12-4-2-3-5-13(12)10-15/h2-6,8,10-11,14,18H,7,9H2,1H3,(H,17,20)
InChIKeyQNCBVUMGBSXKGL-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.46
Rot. Bonds8

About N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide

N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide (PubChem CID 130441816) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide
PubChem CID130441816
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)NOSc1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O3S/c1-17-16(20)9-7-14(11-19)18-21-22-15-8-6-12-4-2-3-5-13(12)10-15/h2-6,8,10-11,14,18H,7,9H2,1H3,(H,17,20)
InChIKeyQNCBVUMGBSXKGL-UHFFFAOYSA-N
XLogP2.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-ylsulfanylpropanal
CID 165440090
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
CID 120831568
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-naphthalen-2-ylsulfanyl-4-oxopentanamide
CID 177187621
methyl 5-naphthalen-2-ylsulfanyl-6-oxoheptanoate
CID 19877611
N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide
CID 170261831
ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen
CID 145374436
2-methyl-3-naphthalen-2-ylsulfanylpropanoic acid
CID 43538170

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide?
The IUPAC name of N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide (CID 130441816) is N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide.
What is the SMILES notation for N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide?
The canonical SMILES for N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide is CNC(=O)CCC(C=O)NOSc1ccc2ccccc2c1.
What is the InChIKey of N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide?
The InChIKey is QNCBVUMGBSXKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-17-16(20)9-7-14(11-19)18-21-22-15-8-6-12-4-2-3-5-13(12)10-15/h2-6,8,10-11,14,18H,7,9H2,1H3,(H,17,20).
What are the key properties of N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide?
N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide has a molecular weight of 318.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(naphthalen-2-ylsulfanyloxyamino)-5-oxopentanamide is sourced from PubChem (CID 130441816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).