3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide

C22H28N4O4S — CID 53064197

IUPAC3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H28N4O4S/c1-4-26(5-2)31(28,29)19-10-11-21-20(14-19)24-16-25(21)13-12-22(27)23-15-17-6-8-18(30-3)9-7-17/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,23,27)
InChIKeyHZLKPBXDRUUVNM-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.78
Rot. Bonds10

About 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide

3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 53064197) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID53064197
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H28N4O4S/c1-4-26(5-2)31(28,29)19-10-11-21-20(14-19)24-16-25(21)13-12-22(27)23-15-17-6-8-18(30-3)9-7-17/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,23,27)
InChIKeyHZLKPBXDRUUVNM-UHFFFAOYSA-N
XLogP2.78
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 53064189
N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064134
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 53064222
N-[(4-chlorophenyl)methyl]-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064515
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53064559
N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064207
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 26880672
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372050
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 40606681
N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 4789393
2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 53064197) is 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is HZLKPBXDRUUVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-4-26(5-2)31(28,29)19-10-11-21-20(14-19)24-16-25(21)13-12-22(27)23-15-17-6-8-18(30-3)9-7-17/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,23,27).
What are the key properties of 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 444.56 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 53064197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).