2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide

C17H21N3O5S2 — CID 19971094

IUPAC2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
SMILESCNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)c2ccsc2)ccc1OC
InChIInChI=1S/C17H21N3O5S2/c1-11(13-6-7-26-10-13)19-16(21)9-12-4-5-14(25-3)15(8-12)27(23,24)20-17(22)18-2/h4-8,10-11H,9H2,1-3H3,(H,19,21)(H2,18,20,22)
InChIKeyVZDWRXUSGYXZLB-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.79
Rot. Bonds7

About 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide

2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide (PubChem CID 19971094) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
PubChem CID19971094
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Name2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
SMILESCNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)c2ccsc2)ccc1OC
InChIInChI=1S/C17H21N3O5S2/c1-11(13-6-7-26-10-13)19-16(21)9-12-4-5-14(25-3)15(8-12)27(23,24)20-17(22)18-2/h4-8,10-11H,9H2,1-3H3,(H,19,21)(H2,18,20,22)
InChIKeyVZDWRXUSGYXZLB-UHFFFAOYSA-N
XLogP1.79
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
CID 19971229
5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056485
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 19971228
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
CID 86264109
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992365
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide
CID 22837083
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide (CID 19971094) is 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide is CNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)c2ccsc2)ccc1OC.
What is the InChIKey of 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide?
The InChIKey is VZDWRXUSGYXZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-11(13-6-7-26-10-13)19-16(21)9-12-4-5-14(25-3)15(8-12)27(23,24)20-17(22)18-2/h4-8,10-11H,9H2,1-3H3,(H,19,21)(H2,18,20,22).
What are the key properties of 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide?
2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 19971094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).