[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate

C24H34N4O5S — CID 55327935

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
SMILESC=CCN(CC=C)C(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC
InChIInChI=1S/C24H34N4O5S/c1-6-15-26(16-7-2)23(29)18-33-24(30)14-13-22-25-20-17-19(11-12-21(20)28(22)10-5)34(31,32)27(8-3)9-4/h6-7,11-12,17H,1-2,8-10,13-16,18H2,3-5H3
InChIKeyOFPORKXZKXHGNV-UHFFFAOYSA-N
MW490.63 g/mol
LogP2.76
Rot. Bonds14

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate (PubChem CID 55327935) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
PubChem CID55327935
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
SMILESC=CCN(CC=C)C(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC
InChIInChI=1S/C24H34N4O5S/c1-6-15-26(16-7-2)23(29)18-33-24(30)14-13-22-25-20-17-19(11-12-21(20)28(22)10-5)34(31,32)27(8-3)9-4/h6-7,11-12,17H,1-2,8-10,13-16,18H2,3-5H3
InChIKeyOFPORKXZKXHGNV-UHFFFAOYSA-N
XLogP2.76
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 55372675
ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate
CID 55985441
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 56523492
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
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
(4-chlorophenyl) 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
CID 26096915
methyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]thiophene-3-carboxylate
CID 55811912
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 112761351

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate (CID 55327935) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate is C=CCN(CC=C)C(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate?
The InChIKey is OFPORKXZKXHGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-6-15-26(16-7-2)23(29)18-33-24(30)14-13-22-25-20-17-19(11-12-21(20)28(22)10-5)34(31,32)27(8-3)9-4/h6-7,11-12,17H,1-2,8-10,13-16,18H2,3-5H3.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate has a molecular weight of 490.63 g/mol, XLogP of 2.76, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate is sourced from PubChem (CID 55327935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).