4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide

C21H26N4O3S — CID 7408843

IUPAC4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)nc2ccccc21
InChIInChI=1S/C21H26N4O3S/c1-4-15-25-19-10-8-7-9-18(19)22-21(25)23-20(26)16-11-13-17(14-12-16)29(27,28)24(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,22,23,26)
InChIKeyJSLMHLFPQPYMQQ-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.73
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide

4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide (PubChem CID 7408843) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
PubChem CID7408843
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)nc2ccccc21
InChIInChI=1S/C21H26N4O3S/c1-4-15-25-19-10-8-7-9-18(19)22-21(25)23-20(26)16-11-13-17(14-12-16)29(27,28)24(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,22,23,26)
InChIKeyJSLMHLFPQPYMQQ-UHFFFAOYSA-N
XLogP3.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25350413
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24628743
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158
N-[4-(diethylsulfamoyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4843555

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide (CID 7408843) is 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide is CCCn1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)nc2ccccc21.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide?
The InChIKey is JSLMHLFPQPYMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-4-15-25-19-10-8-7-9-18(19)22-21(25)23-20(26)16-11-13-17(14-12-16)29(27,28)24(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,22,23,26).
What are the key properties of 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide?
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide has a molecular weight of 414.53 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 7408843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).