N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

C22H27ClN4O4S — CID 30250105

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCn1c(CCC(=O)Nc2cc(C)c(Cl)cc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H27ClN4O4S/c1-6-27-19-8-7-15(32(29,30)26(3)4)12-17(19)24-21(27)9-10-22(28)25-18-11-14(2)16(23)13-20(18)31-5/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,28)
InChIKeyLBRDLCOZCGBOCD-UHFFFAOYSA-N
MW479.00 g/mol
LogP3.85
Rot. Bonds8

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (PubChem CID 30250105) has the molecular formula C22H27ClN4O4S and a molecular weight of 479.00 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
PubChem CID30250105
Molecular FormulaC22H27ClN4O4S
Molecular Weight479.00 g/mol
Exact Mass478.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCn1c(CCC(=O)Nc2cc(C)c(Cl)cc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H27ClN4O4S/c1-6-27-19-8-7-15(32(29,30)26(3)4)12-17(19)24-21(27)9-10-22(28)25-18-11-14(2)16(23)13-20(18)31-5/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,28)
InChIKeyLBRDLCOZCGBOCD-UHFFFAOYSA-N
XLogP3.85
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 43034386
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 24559345
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4820473
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 26197597
N-(6-chloro-1,3-benzothiazol-2-yl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 26901277
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 30279634
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4876131
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
N-(2-amino-2-methylpropyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 119630335

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (CID 30250105) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is CCn1c(CCC(=O)Nc2cc(C)c(Cl)cc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The InChIKey is LBRDLCOZCGBOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4S/c1-6-27-19-8-7-15(32(29,30)26(3)4)12-17(19)24-21(27)9-10-22(28)25-18-11-14(2)16(23)13-20(18)31-5/h7-8,11-13H,6,9-10H2,1-5H3,(H,25,28).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide has a molecular weight of 479.00 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 30250105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).