N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide

C10H12N4O3S — CID 162412886

IUPACN-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide
SMILESCN(C(N=[N+]=[N-])C(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12N4O3S/c1-14(18(2,16)17)10(12-13-11)9(15)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKeyJPAZOJGLHHOKFP-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.40
Rot. Bonds5

About N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide

N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide (PubChem CID 162412886) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide
PubChem CID162412886
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC NameN-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide
SMILESCN(C(N=[N+]=[N-])C(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12N4O3S/c1-14(18(2,16)17)10(12-13-11)9(15)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKeyJPAZOJGLHHOKFP-UHFFFAOYSA-N
XLogP1.40
TPSA103.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one
CID 10262355
(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one
CID 10445684
ethyl 2-methylsulfonyl-3-oxo-3-phenylpropanoate
CID 10707156
2-(1-oxo-1-phenylpropan-2-yl)sulfonylbutanoic acid
CID 82180677
3-[azido(phenyl)methyl]benzoic acid
CID 71093139
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
N,N-dimethyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133219262
(2R,3S)-3-diethoxyphosphoryl-3-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 11771778
4-benzoylheptane-3,5-dione
CID 107431218
N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide
CID 162412887
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
2-butylsulfonyl-1-phenylpropan-1-one
CID 64636336

Frequently Asked Questions

What is the IUPAC name of N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide (CID 162412886) is N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide is CN(C(N=[N+]=[N-])C(=O)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide?
The InChIKey is JPAZOJGLHHOKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-14(18(2,16)17)10(12-13-11)9(15)8-6-4-3-5-7-8/h3-7,10H,1-2H3.
What are the key properties of N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide?
N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide has a molecular weight of 268.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 162412886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).