N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide

C14H22N2O4S — CID 82910962

IUPACN-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC(=O)NCCC(C)C
InChIInChI=1S/C14H22N2O4S/c1-10(2)6-7-16-14(17)9-20-13-5-4-12(8-11(13)3)21(15,18)19/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyZNKYUGOFWDICLP-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.18
Rot. Bonds7

About N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide

N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide (PubChem CID 82910962) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
PubChem CID82910962
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC(=O)NCCC(C)C
InChIInChI=1S/C14H22N2O4S/c1-10(2)6-7-16-14(17)9-20-13-5-4-12(8-11(13)3)21(15,18)19/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyZNKYUGOFWDICLP-UHFFFAOYSA-N
XLogP1.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

3-methyl-4-[2-(3-methylbutylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911319
2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide
CID 82921954
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
3-methyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82917075
N-(2-methoxyethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126385177
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3619640
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 54957202
N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126392203
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
4-[2-(2-methoxyethylamino)-2-oxoethoxy]-3-methylbenzenesulfonyl chloride
CID 82917868
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 3907497

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide (CID 82910962) is N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide is Cc1cc(S(N)(=O)=O)ccc1OCC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
The InChIKey is ZNKYUGOFWDICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)6-7-16-14(17)9-20-13-5-4-12(8-11(13)3)21(15,18)19/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide?
N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82910962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).