3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C20H26N4O4S — CID 27780653

IUPAC3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)o1
InChIInChI=1S/C20H26N4O4S/c1-14-6-7-15(28-14)13-23(4)20(25)11-10-19-21-17-12-16(29(26,27)22(2)3)8-9-18(17)24(19)5/h6-9,12H,10-11,13H2,1-5H3
InChIKeyPJWHWESYANIYFW-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.32
Rot. Bonds7

About 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 27780653) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID27780653
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)o1
InChIInChI=1S/C20H26N4O4S/c1-14-6-7-15(28-14)13-23(4)20(25)11-10-19-21-17-12-16(29(26,27)22(2)3)8-9-18(17)24(19)5/h6-9,12H,10-11,13H2,1-5H3
InChIKeyPJWHWESYANIYFW-UHFFFAOYSA-N
XLogP2.32
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 55558387
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 30593045
N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 34907237
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 129414976
N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 46666978
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
N,N,1-trimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)benzimidazole-5-sulfonamide
CID 119401535
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26699059
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide
CID 55595289
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55902542

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 27780653) is 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)o1.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is PJWHWESYANIYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-14-6-7-15(28-14)13-23(4)20(25)11-10-19-21-17-12-16(29(26,27)22(2)3)8-9-18(17)24(19)5/h6-9,12H,10-11,13H2,1-5H3.
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 418.52 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 27780653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).