2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide

C11H16N2O3S — CID 114231977

IUPAC2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide
SMILESCNC(CS(=O)(=O)CC(N)=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-13-10(9-5-3-2-4-6-9)7-17(15,16)8-11(12)14/h2-6,10,13H,7-8H2,1H3,(H2,12,14)
InChIKeyOQJWPVDCRZQWMX-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.15
Rot. Bonds6

About 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide

2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide (PubChem CID 114231977) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide
PubChem CID114231977
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide
SMILESCNC(CS(=O)(=O)CC(N)=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-13-10(9-5-3-2-4-6-9)7-17(15,16)8-11(12)14/h2-6,10,13H,7-8H2,1H3,(H2,12,14)
InChIKeyOQJWPVDCRZQWMX-UHFFFAOYSA-N
XLogP-0.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]sulfonylacetate
CID 64676552
N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759066
ethyl 2-[2-(methylamino)-2-(2-methylphenyl)ethyl]sulfonylacetate
CID 64675181
2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64674939
2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64640001
2-(2-phenylpropylsulfonyl)acetic acid
CID 141376765
2,2-dimethyl-4-(methylamino)-4-phenylbutanoic acid
CID 116953706
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
CID 64644731
N-(3-amino-3-oxo-1-phenylpropyl)butanamide
CID 44600497
2-[(3-methyl-1-phenylbutyl)amino]acetamide
CID 16774188
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide?
The IUPAC name of 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide (CID 114231977) is 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide.
What is the SMILES notation for 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide?
The canonical SMILES for 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide is CNC(CS(=O)(=O)CC(N)=O)c1ccccc1.
What is the InChIKey of 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide?
The InChIKey is OQJWPVDCRZQWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13-10(9-5-3-2-4-6-9)7-17(15,16)8-11(12)14/h2-6,10,13H,7-8H2,1H3,(H2,12,14).
What are the key properties of 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide?
2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide has a molecular weight of 256.33 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide is sourced from PubChem (CID 114231977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).