ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate

C23H36N4O5S — CID 55985441

IUPACethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC)C(C)C
InChIInChI=1S/C23H36N4O5S/c1-7-25(8-2)33(30,31)18-11-12-20-19(15-18)24-21(26(20)9-3)13-14-22(28)27(17(5)6)16-23(29)32-10-4/h11-12,15,17H,7-10,13-14,16H2,1-6H3
InChIKeyWETYXKXJPVFDRP-UHFFFAOYSA-N
MW480.63 g/mol
LogP2.82
Rot. Bonds12

About ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate

ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate (PubChem CID 55985441) has the molecular formula C23H36N4O5S and a molecular weight of 480.63 g/mol. Its IUPAC name is ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate
PubChem CID55985441
Molecular FormulaC23H36N4O5S
Molecular Weight480.63 g/mol
Exact Mass480.24
IUPAC Nameethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC)C(C)C
InChIInChI=1S/C23H36N4O5S/c1-7-25(8-2)33(30,31)18-11-12-20-19(15-18)24-21(26(20)9-3)13-14-22(28)27(17(5)6)16-23(29)32-10-4/h11-12,15,17H,7-10,13-14,16H2,1-6H3
InChIKeyWETYXKXJPVFDRP-UHFFFAOYSA-N
XLogP2.82
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 56523492
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
CID 55327935
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
N-butan-2-yl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 75807833
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide
CID 55601933
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 112761351
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 26736268
N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 3899402
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
CID 26087233
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-fluorophenyl)propanamide
CID 26114901
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
CID 98398348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate (CID 55985441) is ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC)C(C)C.
What is the InChIKey of ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate?
The InChIKey is WETYXKXJPVFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O5S/c1-7-25(8-2)33(30,31)18-11-12-20-19(15-18)24-21(26(20)9-3)13-14-22(28)27(17(5)6)16-23(29)32-10-4/h11-12,15,17H,7-10,13-14,16H2,1-6H3.
What are the key properties of ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate?
ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate has a molecular weight of 480.63 g/mol, XLogP of 2.82, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate is sourced from PubChem (CID 55985441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).