3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide

C22H28N4O4S — CID 53064222

IUPAC3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCn1cnc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C22H28N4O4S/c1-4-26(5-2)31(28,29)17-11-12-20-19(15-17)23-16-25(20)14-13-22(27)24-18-9-7-8-10-21(18)30-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,27)
InChIKeyHZAKISSGZBHMLD-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.49
Rot. Bonds10

About 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide

3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide (PubChem CID 53064222) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
PubChem CID53064222
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCn1cnc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C22H28N4O4S/c1-4-26(5-2)31(28,29)17-11-12-20-19(15-17)23-16-25(20)14-13-22(27)24-18-9-7-8-10-21(18)30-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,27)
InChIKeyHZAKISSGZBHMLD-UHFFFAOYSA-N
XLogP3.49
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 53064189
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 26736268
N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064207
N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064134
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 53064197
ethyl 4-[3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanoylamino]benzoate
CID 53064133
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 45373932
3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide
CID 34879800
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064107
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962896
N-(2,3-dimethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064017

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide (CID 53064222) is 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCn1cnc2cc(S(=O)(=O)N(CC)CC)ccc21.
What is the InChIKey of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is HZAKISSGZBHMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-4-26(5-2)31(28,29)17-11-12-20-19(15-17)23-16-25(20)14-13-22(27)24-18-9-7-8-10-21(18)30-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,27).
What are the key properties of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide?
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 444.56 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 53064222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).