3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide

C21H24N4O4S — CID 26913601

IUPAC3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
SMILESCn1c(CCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C21H24N4O4S/c1-24-19-8-7-17(30(27,28)25-11-13-29-14-12-25)15-18(19)23-20(24)9-10-21(26)22-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,22,26)
InChIKeyXAAPOYZJXQYRPW-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.17
Rot. Bonds6

About 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide

3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide (PubChem CID 26913601) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
PubChem CID26913601
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
SMILESCn1c(CCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C21H24N4O4S/c1-24-19-8-7-17(30(27,28)25-11-13-29-14-12-25)15-18(19)23-20(24)9-10-21(26)22-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,22,26)
InChIKeyXAAPOYZJXQYRPW-UHFFFAOYSA-N
XLogP2.17
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 26086824
N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417
N-(3,5-dimethoxyphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24688078
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide
CID 25367955
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26909373
N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 42989633
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26881337
N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 42547246
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 43008074
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 42369093
N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 43008041
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 43007385

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide?
The IUPAC name of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide (CID 26913601) is 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide is Cn1c(CCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide?
The InChIKey is XAAPOYZJXQYRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-24-19-8-7-17(30(27,28)25-11-13-29-14-12-25)15-18(19)23-20(24)9-10-21(26)22-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,22,26).
What are the key properties of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide?
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide has a molecular weight of 428.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 26913601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).