2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide

C19H25N3O6S — CID 19971142

IUPAC2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC(C)(C)c2ccoc2)cc1S(=O)(=O)NC(=O)NC
InChIInChI=1S/C19H25N3O6S/c1-5-28-15-7-6-13(10-16(15)29(25,26)22-18(24)20-4)11-17(23)21-19(2,3)14-8-9-27-12-14/h6-10,12H,5,11H2,1-4H3,(H,21,23)(H2,20,22,24)
InChIKeyOBTQSQAAYSQIIE-UHFFFAOYSA-N
MW423.49 g/mol
LogP1.89
Rot. Bonds8

About 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide

2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide (PubChem CID 19971142) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide
PubChem CID19971142
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC(C)(C)c2ccoc2)cc1S(=O)(=O)NC(=O)NC
InChIInChI=1S/C19H25N3O6S/c1-5-28-15-7-6-13(10-16(15)29(25,26)22-18(24)20-4)11-17(23)21-19(2,3)14-8-9-27-12-14/h6-10,12H,5,11H2,1-4H3,(H,21,23)(H2,20,22,24)
InChIKeyOBTQSQAAYSQIIE-UHFFFAOYSA-N
XLogP1.89
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide
CID 19971234
2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
CID 19971229
2-[3-(methylcarbamothioylsulfamoyl)-4-propoxyphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide
CID 19971248
N-[2-(furan-2-yl)propan-2-yl]-2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]acetamide
CID 19971226
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 19971228
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(1H-pyrrol-2-yl)propyl]acetamide
CID 19971071
2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide
CID 19971089
2-[3-(methylcarbamothioylsulfamoyl)-4-propoxyphenyl]-N-[2-(2H-1,3-thiazol-3-yl)propan-2-yl]acetamide
CID 19971063
2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide
CID 19971088
N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166189927
2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
CID 19971094
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]-5-methylbenzenesulfonamide
CID 121132885

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide (CID 19971142) is 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide is CCOc1ccc(CC(=O)NC(C)(C)c2ccoc2)cc1S(=O)(=O)NC(=O)NC.
What is the InChIKey of 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide?
The InChIKey is OBTQSQAAYSQIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-5-28-15-7-6-13(10-16(15)29(25,26)22-18(24)20-4)11-17(23)21-19(2,3)14-8-9-27-12-14/h6-10,12H,5,11H2,1-4H3,(H,21,23)(H2,20,22,24).
What are the key properties of 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide?
2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide has a molecular weight of 423.49 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 19971142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).