2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide

C23H30N4O5S2 — CID 4676306

IUPAC2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n2CC
InChIInChI=1S/C23H30N4O5S2/c1-6-26(7-2)34(29,30)17-10-12-20-19(14-17)25-23(27(20)8-3)33-15-22(28)24-18-11-9-16(31-4)13-21(18)32-5/h9-14H,6-8,15H2,1-5H3,(H,24,28)
InChIKeyHAAPLOKAVPDAPT-UHFFFAOYSA-N
MW506.65 g/mol
LogP3.83
Rot. Bonds11

About 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide

2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 4676306) has the molecular formula C23H30N4O5S2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID4676306
Molecular FormulaC23H30N4O5S2
Molecular Weight506.65 g/mol
Exact Mass506.17
IUPAC Name2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n2CC
InChIInChI=1S/C23H30N4O5S2/c1-6-26(7-2)34(29,30)17-10-12-20-19(14-17)25-23(27(20)8-3)33-15-22(28)24-18-11-9-16(31-4)13-21(18)32-5/h9-14H,6-8,15H2,1-5H3,(H,24,28)
InChIKeyHAAPLOKAVPDAPT-UHFFFAOYSA-N
XLogP3.83
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 4663274
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 4816472
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 26502134
2-[5-(diethylsulfamoyl)-1-(2-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 23989847
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 42983279
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 40589321
2-[4-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9084136
N,N,1-triethyl-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 3948644
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 4798979
2-[3-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 29327817
N-benzyl-N-tert-butyl-2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanylacetamide
CID 16544116
N,N,1-triethyl-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide
CID 16544112

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide (CID 4676306) is 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n2CC.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is HAAPLOKAVPDAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S2/c1-6-26(7-2)34(29,30)17-10-12-20-19(14-17)25-23(27(20)8-3)33-15-22(28)24-18-11-9-16(31-4)13-21(18)32-5/h9-14H,6-8,15H2,1-5H3,(H,24,28).
What are the key properties of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 506.65 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 4676306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).