3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide

C22H28N4O4S — CID 35955668

IUPAC3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H28N4O4S/c1-4-26(5-2)31(28,29)20-15-16(11-12-19(20)30-6-3)23-22(27)14-13-21-24-17-9-7-8-10-18(17)25-21/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyGUWIRDAAFSSJTH-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.56
Rot. Bonds10

About 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide (PubChem CID 35955668) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
PubChem CID35955668
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H28N4O4S/c1-4-26(5-2)31(28,29)20-15-16(11-12-19(20)30-6-3)23-22(27)14-13-21-24-17-9-7-8-10-18(17)25-21/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyGUWIRDAAFSSJTH-UHFFFAOYSA-N
XLogP3.56
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide (CID 35955668) is 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide is CCOc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The InChIKey is GUWIRDAAFSSJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-4-26(5-2)31(28,29)20-15-16(11-12-19(20)30-6-3)23-22(27)14-13-21-24-17-9-7-8-10-18(17)25-21/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide has a molecular weight of 444.56 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide is sourced from PubChem (CID 35955668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).