3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide

C22H30N4O4S — CID 30593045

IUPAC3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide
SMILESCCCCn1c(CCC(=O)N(C)Cc2ccco2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H30N4O4S/c1-5-6-13-26-20-10-9-18(31(28,29)24(2)3)15-19(20)23-21(26)11-12-22(27)25(4)16-17-8-7-14-30-17/h7-10,14-15H,5-6,11-13,16H2,1-4H3
InChIKeyHRIQHBLRLPUNCJ-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.27
Rot. Bonds10

About 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide

3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide (PubChem CID 30593045) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide
PubChem CID30593045
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide
SMILESCCCCn1c(CCC(=O)N(C)Cc2ccco2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H30N4O4S/c1-5-6-13-26-20-10-9-18(31(28,29)24(2)3)15-19(20)23-21(26)11-12-22(27)25(4)16-17-8-7-14-30-17/h7-10,14-15H,5-6,11-13,16H2,1-4H3
InChIKeyHRIQHBLRLPUNCJ-UHFFFAOYSA-N
XLogP3.27
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 34907237
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 27780653
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2S)-pentan-2-yl]propanamide
CID 34821944
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 55331363
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 55450745
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 40601283
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005369
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 30697711
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide
CID 47835470
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 30534455
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 31103674

Frequently Asked Questions

What is the IUPAC name of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide?
The IUPAC name of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide (CID 30593045) is 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide is CCCCn1c(CCC(=O)N(C)Cc2ccco2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide?
The InChIKey is HRIQHBLRLPUNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-5-6-13-26-20-10-9-18(31(28,29)24(2)3)15-19(20)23-21(26)11-12-22(27)25(4)16-17-8-7-14-30-17/h7-10,14-15H,5-6,11-13,16H2,1-4H3.
What are the key properties of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide?
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide has a molecular weight of 446.57 g/mol, XLogP of 3.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 30593045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).