N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide

C22H34N4O5S2 — CID 55640136

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc(C)c(C)n2CCOC)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H34N4O5S2/c1-7-25(8-2)33(28,29)20-14-18(10-11-19(20)31-9-3)24-21(27)15-32-22-23-16(4)17(5)26(22)12-13-30-6/h10-11,14H,7-9,12-13,15H2,1-6H3,(H,24,27)
InChIKeyKGLLHSNHQQCHGU-UHFFFAOYSA-N
MW498.67 g/mol
LogP3.31
Rot. Bonds13

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide (PubChem CID 55640136) has the molecular formula C22H34N4O5S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
PubChem CID55640136
Molecular FormulaC22H34N4O5S2
Molecular Weight498.67 g/mol
Exact Mass498.20
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc(C)c(C)n2CCOC)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H34N4O5S2/c1-7-25(8-2)33(28,29)20-14-18(10-11-19(20)31-9-3)24-21(27)15-32-22-23-16(4)17(5)26(22)12-13-30-6/h10-11,14H,7-9,12-13,15H2,1-6H3,(H,24,27)
InChIKeyKGLLHSNHQQCHGU-UHFFFAOYSA-N
XLogP3.31
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 24559093
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 43000493
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55337309
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 18278347

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide (CID 55640136) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nc(C)c(C)n2CCOC)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The InChIKey is KGLLHSNHQQCHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5S2/c1-7-25(8-2)33(28,29)20-14-18(10-11-19(20)31-9-3)24-21(27)15-32-22-23-16(4)17(5)26(22)12-13-30-6/h10-11,14H,7-9,12-13,15H2,1-6H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide has a molecular weight of 498.67 g/mol, XLogP of 3.31, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 55640136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).