2-(2-methylsulfonylethylamino)-N-phenylacetamide

C11H16N2O3S — CID 54935124

IUPAC2-(2-methylsulfonylethylamino)-N-phenylacetamide
SMILESCS(=O)(=O)CCNCC(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-17(15,16)8-7-12-9-11(14)13-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14)
InChIKeyXAPQDKGBLOYPQG-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.26
Rot. Bonds6

About 2-(2-methylsulfonylethylamino)-N-phenylacetamide

2-(2-methylsulfonylethylamino)-N-phenylacetamide (PubChem CID 54935124) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylamino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-methylsulfonylethylamino)-N-phenylacetamide
PubChem CID54935124
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(2-methylsulfonylethylamino)-N-phenylacetamide
SMILESCS(=O)(=O)CCNCC(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-17(15,16)8-7-12-9-11(14)13-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14)
InChIKeyXAPQDKGBLOYPQG-UHFFFAOYSA-N
XLogP0.26
TPSA75.27 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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfonylethyl)-3-phenylthiourea
CID 48839854
3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
CID 115586548
5-[(2-anilino-2-oxoethyl)amino]pentanamide
CID 106237405
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
CID 43546022
[(2-anilino-2-oxoethyl)amino]methylphosphonic acid
CID 68512701
2-(2,2-dimethylbutylamino)-N-phenylacetamide
CID 113242973
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428792
N-phenyl-2-(2,2,3-trimethylbutylamino)acetamide
CID 114099870

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylamino)-N-phenylacetamide?
The IUPAC name of 2-(2-methylsulfonylethylamino)-N-phenylacetamide (CID 54935124) is 2-(2-methylsulfonylethylamino)-N-phenylacetamide.
What is the SMILES notation for 2-(2-methylsulfonylethylamino)-N-phenylacetamide?
The canonical SMILES for 2-(2-methylsulfonylethylamino)-N-phenylacetamide is CS(=O)(=O)CCNCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-methylsulfonylethylamino)-N-phenylacetamide?
The InChIKey is XAPQDKGBLOYPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-17(15,16)8-7-12-9-11(14)13-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylsulfonylethylamino)-N-phenylacetamide?
2-(2-methylsulfonylethylamino)-N-phenylacetamide has a molecular weight of 256.33 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylamino)-N-phenylacetamide is sourced from PubChem (CID 54935124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).