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

C18H23N3O5S2 — CID 19971229

IUPAC2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
SMILESCCOc1ccc(CC(=O)NC(C)c2ccsc2)cc1S(=O)(=O)NC(=O)NC
InChIInChI=1S/C18H23N3O5S2/c1-4-26-15-6-5-13(9-16(15)28(24,25)21-18(23)19-3)10-17(22)20-12(2)14-7-8-27-11-14/h5-9,11-12H,4,10H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyWNMCIZSWLILGAF-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.18
Rot. Bonds8

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

2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide (PubChem CID 19971229) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
PubChem CID19971229
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC Name2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
SMILESCCOc1ccc(CC(=O)NC(C)c2ccsc2)cc1S(=O)(=O)NC(=O)NC
InChIInChI=1S/C18H23N3O5S2/c1-4-26-15-6-5-13(9-16(15)28(24,25)21-18(23)19-3)10-17(22)20-12(2)14-7-8-27-11-14/h5-9,11-12H,4,10H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyWNMCIZSWLILGAF-UHFFFAOYSA-N
XLogP2.18
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
CID 19971094
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 19971228
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-[2-(furan-3-yl)propan-2-yl]acetamide
CID 19971142
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(1H-pyrrol-2-yl)propyl]acetamide
CID 19971071
5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056485
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
CID 55122352
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1H-pyrrol-3-yl)propan-2-yl]acetamide
CID 19971234

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide (CID 19971229) is 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide is CCOc1ccc(CC(=O)NC(C)c2ccsc2)cc1S(=O)(=O)NC(=O)NC.
What is the InChIKey of 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide?
The InChIKey is WNMCIZSWLILGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-4-26-15-6-5-13(9-16(15)28(24,25)21-18(23)19-3)10-17(22)20-12(2)14-7-8-27-11-14/h5-9,11-12H,4,10H2,1-3H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide?
2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.18, 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-(1-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 19971229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).