3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

C24H32N4O3S2 — CID 55372675

IUPAC3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC
InChIInChI=1S/C24H32N4O3S2/c1-5-15-26(18-19-10-9-16-32-19)24(29)14-13-23-25-21-17-20(11-12-22(21)28(23)8-4)33(30,31)27(6-2)7-3/h5,9-12,16-17H,1,6-8,13-15,18H2,2-4H3
InChIKeyUCYKYYUORUFCKZ-UHFFFAOYSA-N
MW488.68 g/mol
LogP4.30
Rot. Bonds12

About 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 55372675) has the molecular formula C24H32N4O3S2 and a molecular weight of 488.68 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID55372675
Molecular FormulaC24H32N4O3S2
Molecular Weight488.68 g/mol
Exact Mass488.19
IUPAC Name3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC
InChIInChI=1S/C24H32N4O3S2/c1-5-15-26(18-19-10-9-16-32-19)24(29)14-13-23-25-21-17-20(11-12-22(21)28(23)8-4)33(30,31)27(6-2)7-3/h5,9-12,16-17H,1,6-8,13-15,18H2,2-4H3
InChIKeyUCYKYYUORUFCKZ-UHFFFAOYSA-N
XLogP4.30
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
CID 55327935
4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801560
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55452972
ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate
CID 55985441
N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 56523492
methyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]thiophene-3-carboxylate
CID 55811912
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
CID 26087233
3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 51207453
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-fluorophenyl)propanamide
CID 26114901
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

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (CID 55372675) is 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is C=CCN(Cc1cccs1)C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is UCYKYYUORUFCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S2/c1-5-15-26(18-19-10-9-16-32-19)24(29)14-13-23-25-21-17-20(11-12-22(21)28(23)8-4)33(30,31)27(6-2)7-3/h5,9-12,16-17H,1,6-8,13-15,18H2,2-4H3.
What are the key properties of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 488.68 g/mol, XLogP of 4.30, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 55372675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).