N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide

C23H37N5O4S — CID 42932368

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
SMILESCC1CN(C(C)(C)CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC(C)O1
InChIInChI=1S/C23H37N5O4S/c1-16-13-28(14-17(2)32-16)23(3,4)15-24-22(29)11-10-21-25-19-12-18(33(30,31)26(5)6)8-9-20(19)27(21)7/h8-9,12,16-17H,10-11,13-15H2,1-7H3,(H,24,29)
InChIKeyJDJFNHHOEMLBSN-UHFFFAOYSA-N
MW479.65 g/mol
LogP1.76
Rot. Bonds8

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide (PubChem CID 42932368) has the molecular formula C23H37N5O4S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
PubChem CID42932368
Molecular FormulaC23H37N5O4S
Molecular Weight479.65 g/mol
Exact Mass479.26
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
SMILESCC1CN(C(C)(C)CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC(C)O1
InChIInChI=1S/C23H37N5O4S/c1-16-13-28(14-17(2)32-16)23(3,4)15-24-22(29)11-10-21-25-19-12-18(33(30,31)26(5)6)8-9-20(19)27(21)7/h8-9,12,16-17H,10-11,13-15H2,1-7H3,(H,24,29)
InChIKeyJDJFNHHOEMLBSN-UHFFFAOYSA-N
XLogP1.76
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 25388557
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25388498
N-(2-amino-2-methylpropyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
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3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide
CID 43064901
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25334806
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CID 55378603
N-[(2-bromo-5-fluorophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 55899461
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 26202172
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide (CID 42932368) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide is CC1CN(C(C)(C)CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
The InChIKey is JDJFNHHOEMLBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O4S/c1-16-13-28(14-17(2)32-16)23(3,4)15-24-22(29)11-10-21-25-19-12-18(33(30,31)26(5)6)8-9-20(19)27(21)7/h8-9,12,16-17H,10-11,13-15H2,1-7H3,(H,24,29).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide has a molecular weight of 479.65 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 42932368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).