N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide

C27H29N5O4S — CID 155542414

IUPACN-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NS(=O)(=O)N(C)C)ccc4n3CCOC)ccc21
InChIInChI=1S/C27H29N5O4S/c1-5-31-23-9-7-6-8-20(23)21-16-18(10-12-24(21)31)26-28-22-17-19(27(33)29-37(34,35)30(2)3)11-13-25(22)32(26)14-15-36-4/h6-13,16-17H,5,14-15H2,1-4H3,(H,29,33)
InChIKeyMAFIZZVLWBRVSD-UHFFFAOYSA-N
MW519.63 g/mol
LogP4.01
Rot. Bonds8

About N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide

N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide (PubChem CID 155542414) has the molecular formula C27H29N5O4S and a molecular weight of 519.63 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide
PubChem CID155542414
Molecular FormulaC27H29N5O4S
Molecular Weight519.63 g/mol
Exact Mass519.19
IUPAC NameN-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NS(=O)(=O)N(C)C)ccc4n3CCOC)ccc21
InChIInChI=1S/C27H29N5O4S/c1-5-31-23-9-7-6-8-20(23)21-16-18(10-12-24(21)31)26-28-22-17-19(27(33)29-37(34,35)30(2)3)11-13-25(22)32(26)14-15-36-4/h6-13,16-17H,5,14-15H2,1-4H3,(H,29,33)
InChIKeyMAFIZZVLWBRVSD-UHFFFAOYSA-N
XLogP4.01
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid
CID 90202748
[2-(9-ethylcarbazol-3-yl)-1-(3-methoxypropyl)benzimidazol-5-yl] hydrogen carbonate
CID 90202740
[2-(9-ethylcarbazol-3-yl)-1-(2-methylsulfonylethyl)benzimidazol-5-yl] hydrogen carbonate
CID 90202773
[2-[9-(cyclobutylmethyl)carbazol-3-yl]-1-(2-methoxyethyl)benzimidazol-5-yl] hydrogen carbonate
CID 90202307
[2-(9-ethylcarbazol-3-yl)-1-[(2R)-2-hydroxy-3-methoxypropyl]benzimidazol-5-yl] hydrogen carbonate
CID 90202351
methyl 2-[6,6-difluoro-9-(2-phenoxyethyl)-7,8-dihydro-5H-carbazol-3-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 177149274
2-methoxyethyl 2-(9-ethylcarbazol-3-yl)-3H-benzimidazole-5-carboxylate
CID 175469021
3-(dimethylsulfamoyl)-N-(9-ethylcarbazol-3-yl)-4-methoxybenzamide
CID 45374091
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 136751423
N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide
CID 155547270
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide (CID 155542414) is N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide is CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NS(=O)(=O)N(C)C)ccc4n3CCOC)ccc21.
What is the InChIKey of N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide?
The InChIKey is MAFIZZVLWBRVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4S/c1-5-31-23-9-7-6-8-20(23)21-16-18(10-12-24(21)31)26-28-22-17-19(27(33)29-37(34,35)30(2)3)11-13-25(22)32(26)14-15-36-4/h6-13,16-17H,5,14-15H2,1-4H3,(H,29,33).
What are the key properties of N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide?
N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide has a molecular weight of 519.63 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 155542414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).