2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide

C11H16N2O4S — CID 61399819

IUPAC2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCS(=O)(=O)NCCNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C11H16N2O4S/c1-18(16,17)13-6-5-12-11(15)8-9-3-2-4-10(14)7-9/h2-4,7,13-14H,5-6,8H2,1H3,(H,12,15)
InChIKeyKMOXZXSXBYFOAX-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.40
Rot. Bonds6

About 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide

2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 61399819) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID61399819
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCS(=O)(=O)NCCNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C11H16N2O4S/c1-18(16,17)13-6-5-12-11(15)8-9-3-2-4-10(14)7-9/h2-4,7,13-14H,5-6,8H2,1H3,(H,12,15)
InChIKeyKMOXZXSXBYFOAX-UHFFFAOYSA-N
XLogP-0.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 63859309
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
2-(3-bromo-4-methylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 99825541
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
CID 62651288
N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
CID 107846976
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
2-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]benzoic acid
CID 115923776
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 113229806
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide (CID 61399819) is 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide is CS(=O)(=O)NCCNC(=O)Cc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is KMOXZXSXBYFOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-18(16,17)13-6-5-12-11(15)8-9-3-2-4-10(14)7-9/h2-4,7,13-14H,5-6,8H2,1H3,(H,12,15).
What are the key properties of 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 272.33 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 61399819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).