N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide

C25H28N4O4S — CID 34907237

IUPACN-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(Cc1ccccc1)Cc1ccco1)n2C
InChIInChI=1S/C25H28N4O4S/c1-27(2)34(31,32)21-11-12-23-22(16-21)26-24(28(23)3)13-14-25(30)29(18-20-10-7-15-33-20)17-19-8-5-4-6-9-19/h4-12,15-16H,13-14,17-18H2,1-3H3
InChIKeyXAYHNLXQTSSKIY-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.58
Rot. Bonds9

About N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide

N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 34907237) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID34907237
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(Cc1ccccc1)Cc1ccco1)n2C
InChIInChI=1S/C25H28N4O4S/c1-27(2)34(31,32)21-11-12-23-22(16-21)26-24(28(23)3)13-14-25(30)29(18-20-10-7-15-33-20)17-19-8-5-4-6-9-19/h4-12,15-16H,13-14,17-18H2,1-3H3
InChIKeyXAYHNLXQTSSKIY-UHFFFAOYSA-N
XLogP3.58
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 30593045
N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide
CID 55595289
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 27780653
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate
CID 55309258
N-[(3,4-difluorophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 55558387
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24646730
N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide
CID 29358517
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 129414976
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 26202172
N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 46666978
N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 46602893
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 45353825

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide (CID 34907237) is N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide is CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(Cc1ccccc1)Cc1ccco1)n2C.
What is the InChIKey of N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is XAYHNLXQTSSKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-27(2)34(31,32)21-11-12-23-22(16-21)26-24(28(23)3)13-14-25(30)29(18-20-10-7-15-33-20)17-19-8-5-4-6-9-19/h4-12,15-16H,13-14,17-18H2,1-3H3.
What are the key properties of N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide?
N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 480.59 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 34907237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).