3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide

C22H28N4O5S — CID 43035683

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2ccc(S(=O)(=O)NC(C)COC)cc2)c2ccccc21
InChIInChI=1S/C22H28N4O5S/c1-4-25-19-7-5-6-8-20(19)26(22(25)28)14-13-21(27)23-17-9-11-18(12-10-17)32(29,30)24-16(2)15-31-3/h5-12,16,24H,4,13-15H2,1-3H3,(H,23,27)
InChIKeyCLEKGCPROGUJSL-UHFFFAOYSA-N
MW460.56 g/mol
LogP2.16
Rot. Bonds10

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 43035683) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID43035683
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2ccc(S(=O)(=O)NC(C)COC)cc2)c2ccccc21
InChIInChI=1S/C22H28N4O5S/c1-4-25-19-7-5-6-8-20(19)26(22(25)28)14-13-21(27)23-17-9-11-18(12-10-17)32(29,30)24-16(2)15-31-3/h5-12,16,24H,4,13-15H2,1-3H3,(H,23,27)
InChIKeyCLEKGCPROGUJSL-UHFFFAOYSA-N
XLogP2.16
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638182
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-phenylbutanamide
CID 43007936
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609703
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 24559430
2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 51548997
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide (CID 43035683) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide is CCn1c(=O)n(CCC(=O)Nc2ccc(S(=O)(=O)NC(C)COC)cc2)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is CLEKGCPROGUJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-4-25-19-7-5-6-8-20(19)26(22(25)28)14-13-21(27)23-17-9-11-18(12-10-17)32(29,30)24-16(2)15-31-3/h5-12,16,24H,4,13-15H2,1-3H3,(H,23,27).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 460.56 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 43035683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).