6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide

C22H24N6O4S — CID 42479209

IUPAC6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide
SMILESCCS(=O)(=O)Nc1cc(C(=O)N(C)Cc2nonc2C)c2c(c1)nc(-c1ccccc1)n2C
InChIInChI=1S/C22H24N6O4S/c1-5-33(30,31)26-16-11-17(22(29)27(3)13-19-14(2)24-32-25-19)20-18(12-16)23-21(28(20)4)15-9-7-6-8-10-15/h6-12,26H,5,13H2,1-4H3
InChIKeyVFDCVXSYBAKSCG-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.97
Rot. Bonds7

About 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide

6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide (PubChem CID 42479209) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide
PubChem CID42479209
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC Name6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide
SMILESCCS(=O)(=O)Nc1cc(C(=O)N(C)Cc2nonc2C)c2c(c1)nc(-c1ccccc1)n2C
InChIInChI=1S/C22H24N6O4S/c1-5-33(30,31)26-16-11-17(22(29)27(3)13-19-14(2)24-32-25-19)20-18(12-16)23-21(28(20)4)15-9-7-6-8-10-15/h6-12,26H,5,13H2,1-4H3
InChIKeyVFDCVXSYBAKSCG-UHFFFAOYSA-N
XLogP2.97
TPSA123.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide?
The IUPAC name of 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide (CID 42479209) is 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide.
What is the SMILES notation for 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide?
The canonical SMILES for 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide is CCS(=O)(=O)Nc1cc(C(=O)N(C)Cc2nonc2C)c2c(c1)nc(-c1ccccc1)n2C.
What is the InChIKey of 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide?
The InChIKey is VFDCVXSYBAKSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c1-5-33(30,31)26-16-11-17(22(29)27(3)13-19-14(2)24-32-25-19)20-18(12-16)23-21(28(20)4)15-9-7-6-8-10-15/h6-12,26H,5,13H2,1-4H3.
What are the key properties of 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide?
6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylsulfonylamino)-N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenylbenzimidazole-4-carboxamide is sourced from PubChem (CID 42479209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).