N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide

C21H31N5O3S — CID 56523492

IUPACN-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)C(C)CC#N)n2CC
InChIInChI=1S/C21H31N5O3S/c1-6-25(7-2)30(28,29)17-9-10-19-18(15-17)23-20(26(19)8-3)11-12-21(27)24(5)16(4)13-14-22/h9-10,15-16H,6-8,11-13H2,1-5H3
InChIKeyPZSHOTDVLKIBNL-UHFFFAOYSA-N
MW433.58 g/mol
LogP2.78
Rot. Bonds10

About N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide

N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide (PubChem CID 56523492) has the molecular formula C21H31N5O3S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
PubChem CID56523492
Molecular FormulaC21H31N5O3S
Molecular Weight433.58 g/mol
Exact Mass433.21
IUPAC NameN-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)C(C)CC#N)n2CC
InChIInChI=1S/C21H31N5O3S/c1-6-25(7-2)30(28,29)17-9-10-19-18(15-17)23-20(26(19)8-3)11-12-21(27)24(5)16(4)13-14-22/h9-10,15-16H,6-8,11-13H2,1-5H3
InChIKeyPZSHOTDVLKIBNL-UHFFFAOYSA-N
XLogP2.78
TPSA99.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 75807833
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
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 112761351
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-ethyl-N-(4-fluorophenyl)propanamide
CID 30997656
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
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-fluorophenyl)propanamide
CID 26114901
N-[4-(cyanomethyl)phenyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 35705492

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide (CID 56523492) is N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)C(C)CC#N)n2CC.
What is the InChIKey of N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide?
The InChIKey is PZSHOTDVLKIBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S/c1-6-25(7-2)30(28,29)17-9-10-19-18(15-17)23-20(26(19)8-3)11-12-21(27)24(5)16(4)13-14-22/h9-10,15-16H,6-8,11-13H2,1-5H3.
What are the key properties of N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide?
N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide has a molecular weight of 433.58 g/mol, XLogP of 2.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 56523492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).