N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide

C14H22N2O4S — CID 82914156

IUPACN-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(C)C(C)C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-9(2)11(4)16-14(17)8-20-12-6-5-10(3)7-13(12)21(15,18)19/h5-7,9,11H,8H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyWEGLXZGKVJDXJE-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.18
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide

N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide (PubChem CID 82914156) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
PubChem CID82914156
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(C)C(C)C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-9(2)11(4)16-14(17)8-20-12-6-5-10(3)7-13(12)21(15,18)19/h5-7,9,11H,8H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyWEGLXZGKVJDXJE-UHFFFAOYSA-N
XLogP1.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 82916940
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
N-(cyclopropylmethyl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82921293
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63651171
5-bromo-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910919
N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 77003672
5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid
CID 43342428
methyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43406193
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide (CID 82914156) is N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide is Cc1ccc(OCC(=O)NC(C)C(C)C)c(S(N)(=O)=O)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide?
The InChIKey is WEGLXZGKVJDXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9(2)11(4)16-14(17)8-20-12-6-5-10(3)7-13(12)21(15,18)19/h5-7,9,11H,8H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide?
N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82914156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).