2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide

C21H26N4O4S2 — CID 4884909

IUPAC2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC(C)C(N)=O)n2-c1ccc(OC)cc1
InChIInChI=1S/C21H26N4O4S2/c1-5-24(6-2)31(27,28)17-11-12-19-18(13-17)23-21(30-14(3)20(22)26)25(19)15-7-9-16(29-4)10-8-15/h7-14H,5-6H2,1-4H3,(H2,22,26)
InChIKeyUXBCXLRSWXQDTE-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.03
Rot. Bonds9

About 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide

2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 4884909) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID4884909
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC Name2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC(C)C(N)=O)n2-c1ccc(OC)cc1
InChIInChI=1S/C21H26N4O4S2/c1-5-24(6-2)31(27,28)17-11-12-19-18(13-17)23-21(30-14(3)20(22)26)25(19)15-7-9-16(29-4)10-8-15/h7-14H,5-6H2,1-4H3,(H2,22,26)
InChIKeyUXBCXLRSWXQDTE-UHFFFAOYSA-N
XLogP3.03
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide (CID 4884909) is 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC(C)C(N)=O)n2-c1ccc(OC)cc1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is UXBCXLRSWXQDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c1-5-24(6-2)31(27,28)17-11-12-19-18(13-17)23-21(30-14(3)20(22)26)25(19)15-7-9-16(29-4)10-8-15/h7-14H,5-6H2,1-4H3,(H2,22,26).
What are the key properties of 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 462.60 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 4884909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).