N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

C23H28N4O4S — CID 26909373

IUPACN-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)c1
InChIInChI=1S/C23H28N4O4S/c1-16-4-5-17(2)19(14-16)25-23(28)9-8-22-24-20-15-18(6-7-21(20)26(22)3)32(29,30)27-10-12-31-13-11-27/h4-7,14-15H,8-13H2,1-3H3,(H,25,28)
InChIKeyWDAXIFUUYVRNBL-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.78
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 26909373) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID26909373
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)c1
InChIInChI=1S/C23H28N4O4S/c1-16-4-5-17(2)19(14-16)25-23(28)9-8-22-24-20-15-18(6-7-21(20)26(22)3)32(29,30)27-10-12-31-13-11-27/h4-7,14-15H,8-13H2,1-3H3,(H,25,28)
InChIKeyWDAXIFUUYVRNBL-UHFFFAOYSA-N
XLogP2.78
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
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N-(2-fluoro-5-methylphenyl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
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3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42982551
N-(3,5-dimethoxyphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
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CID 42989633
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
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N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26881337
N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 43008074
N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 43008041
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (CID 26909373) is N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is Cc1ccc(C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is WDAXIFUUYVRNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-16-4-5-17(2)19(14-16)25-23(28)9-8-22-24-20-15-18(6-7-21(20)26(22)3)32(29,30)27-10-12-31-13-11-27/h4-7,14-15H,8-13H2,1-3H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 456.57 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 26909373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).