3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide

C22H35N5O4S — CID 30534455

IUPAC3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCCCn1c(CCC(=O)NCCN2CCOCC2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H35N5O4S/c1-4-5-11-27-20-7-6-18(32(29,30)25(2)3)17-19(20)24-21(27)8-9-22(28)23-10-12-26-13-15-31-16-14-26/h6-7,17H,4-5,8-16H2,1-3H3,(H,23,28)
InChIKeyRNFJAFATTZZTDT-UHFFFAOYSA-N
MW465.62 g/mol
LogP1.47
Rot. Bonds11

About 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 30534455) has the molecular formula C22H35N5O4S and a molecular weight of 465.62 g/mol. Its IUPAC name is 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID30534455
Molecular FormulaC22H35N5O4S
Molecular Weight465.62 g/mol
Exact Mass465.24
IUPAC Name3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCCCn1c(CCC(=O)NCCN2CCOCC2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H35N5O4S/c1-4-5-11-27-20-7-6-18(32(29,30)25(2)3)17-19(20)24-21(27)8-9-22(28)23-10-12-26-13-15-31-16-14-26/h6-7,17H,4-5,8-16H2,1-3H3,(H,23,28)
InChIKeyRNFJAFATTZZTDT-UHFFFAOYSA-N
XLogP1.47
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 25330921
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 31103674
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
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-chlorophenyl)methyl]propanamide
CID 30697711
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-propan-2-ylpyrazol-3-yl)propanamide
CID 55331363
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]propanamide
CID 55840043
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(1H-pyrazol-5-yl)propanamide
CID 47835470
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 24559345
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 42987416

Frequently Asked Questions

What is the IUPAC name of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 30534455) is 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide is CCCCn1c(CCC(=O)NCCN2CCOCC2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is RNFJAFATTZZTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O4S/c1-4-5-11-27-20-7-6-18(32(29,30)25(2)3)17-19(20)24-21(27)8-9-22(28)23-10-12-26-13-15-31-16-14-26/h6-7,17H,4-5,8-16H2,1-3H3,(H,23,28).
What are the key properties of 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 465.62 g/mol, XLogP of 1.47, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 30534455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).