2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide

C12H14N2O4S — CID 82921954

IUPAC2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C12H14N2O4S/c1-3-6-14-12(15)8-18-11-5-4-10(7-9(11)2)19(13,16)17/h1,4-5,7H,6,8H2,2H3,(H,14,15)(H2,13,16,17)
InChIKeyBERPTZMKAWGNQG-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.23
Rot. Bonds5

About 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide

2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide (PubChem CID 82921954) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide
PubChem CID82921954
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C12H14N2O4S/c1-3-6-14-12(15)8-18-11-5-4-10(7-9(11)2)19(13,16)17/h1,4-5,7H,6,8H2,2H3,(H,14,15)(H2,13,16,17)
InChIKeyBERPTZMKAWGNQG-UHFFFAOYSA-N
XLogP-0.23
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 82910962
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 3907497
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 110164108
2-(4-chloro-2-methylphenoxy)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 31916474
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562658
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
3-methyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82917075
4-[2-(2-methoxyethylamino)-2-oxoethoxy]-3-methylbenzenesulfonyl chloride
CID 82917868
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3619640
2-(4-bromo-2-formylphenoxy)-N-prop-2-ynylacetamide
CID 9006975

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide (CID 82921954) is 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide is C#CCNC(=O)COc1ccc(S(N)(=O)=O)cc1C.
What is the InChIKey of 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide?
The InChIKey is BERPTZMKAWGNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-3-6-14-12(15)8-18-11-5-4-10(7-9(11)2)19(13,16)17/h1,4-5,7H,6,8H2,2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide?
2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide has a molecular weight of 282.32 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide is sourced from PubChem (CID 82921954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).