3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide

C23H31N5O4S — CID 55781110

IUPAC3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
SMILESCCn1c(CCC(=O)NCc2cccnc2OC(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H31N5O4S/c1-6-28-20-10-9-18(33(30,31)27(4)5)14-19(20)26-21(28)11-12-22(29)25-15-17-8-7-13-24-23(17)32-16(2)3/h7-10,13-14,16H,6,11-12,15H2,1-5H3,(H,25,29)
InChIKeyUUGXVMNOICJSSS-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.74
Rot. Bonds10

About 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide (PubChem CID 55781110) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
PubChem CID55781110
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
SMILESCCn1c(CCC(=O)NCc2cccnc2OC(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H31N5O4S/c1-6-28-20-10-9-18(33(30,31)27(4)5)14-19(20)26-21(28)11-12-22(29)25-15-17-8-7-13-24-23(17)32-16(2)3/h7-10,13-14,16H,6,11-12,15H2,1-5H3,(H,25,29)
InChIKeyUUGXVMNOICJSSS-UHFFFAOYSA-N
XLogP2.74
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 24665655
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 24559345
N-(2-amino-2-methylpropyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 119630335
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
N-[2-(2,3-dichlorophenyl)ethyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 55799307
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 30697711
N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4876131
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 34450108
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42977393

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide (CID 55781110) is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide is CCn1c(CCC(=O)NCc2cccnc2OC(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The InChIKey is UUGXVMNOICJSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-6-28-20-10-9-18(33(30,31)27(4)5)14-19(20)26-21(28)11-12-22(29)25-15-17-8-7-13-24-23(17)32-16(2)3/h7-10,13-14,16H,6,11-12,15H2,1-5H3,(H,25,29).
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide has a molecular weight of 473.60 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55781110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).