2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C17H19ClN2O4S — CID 2683015

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12-10-14(18)4-7-16(12)24-11-17(21)20-9-8-13-2-5-15(6-3-13)25(19,22)23/h2-7,10H,8-9,11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyBNYHNRWHHKIIGV-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.03
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2683015) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2683015
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12-10-14(18)4-7-16(12)24-11-17(21)20-9-8-13-2-5-15(6-3-13)25(19,22)23/h2-7,10H,8-9,11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyBNYHNRWHHKIIGV-UHFFFAOYSA-N
XLogP2.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 18074478
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2627423
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 3907497
2-(4-chloro-2-methylphenoxy)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 31916474
methyl 3-chloro-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethoxy]benzoate
CID 55578270
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 82910962
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
2-(2-methyl-4-sulfamoylphenoxy)-N-prop-2-ynylacetamide
CID 82921954
2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2683015) is 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is BNYHNRWHHKIIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12-10-14(18)4-7-16(12)24-11-17(21)20-9-8-13-2-5-15(6-3-13)25(19,22)23/h2-7,10H,8-9,11H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 382.87 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2683015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).