5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

C20H23N5O4S — CID 56516205

IUPAC5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C20H23N5O4S/c1-13-22-18-6-4-5-7-19(18)25(13)11-10-21-20(27)16-12-15(23-14(2)26)8-9-17(16)24-30(3,28)29/h4-9,12,24H,10-11H2,1-3H3,(H,21,27)(H,23,26)
InChIKeyZTZZBXBPBZLPGN-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.10
Rot. Bonds7

About 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (PubChem CID 56516205) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
PubChem CID56516205
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C20H23N5O4S/c1-13-22-18-6-4-5-7-19(18)25(13)11-10-21-20(27)16-12-15(23-14(2)26)8-9-17(16)24-30(3,28)29/h4-9,12,24H,10-11H2,1-3H3,(H,21,27)(H,23,26)
InChIKeyZTZZBXBPBZLPGN-UHFFFAOYSA-N
XLogP2.10
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide
CID 56539236
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 26444084
5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 55913591
(E)-3-(4-acetamidophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 31266525
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26444132
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 26443914

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (CID 56516205) is 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is ZTZZBXBPBZLPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-13-22-18-6-4-5-7-19(18)25(13)11-10-21-20(27)16-12-15(23-14(2)26)8-9-17(16)24-30(3,28)29/h4-9,12,24H,10-11H2,1-3H3,(H,21,27)(H,23,26).
What are the key properties of 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 56516205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).