N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide

C19H27N3O4S — CID 50824205

IUPACN-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc2c(cc1S(=O)(=O)C1CCCCC1)n(C)c(=O)n2C
InChIInChI=1S/C19H27N3O4S/c1-12(2)18(23)20-14-10-15-16(22(4)19(24)21(15)3)11-17(14)27(25,26)13-8-6-5-7-9-13/h10-13H,5-9H2,1-4H3,(H,20,23)
InChIKeyJKJWWIWHHJEHFU-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.58
Rot. Bonds4

About N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide

N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide (PubChem CID 50824205) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide
PubChem CID50824205
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc2c(cc1S(=O)(=O)C1CCCCC1)n(C)c(=O)n2C
InChIInChI=1S/C19H27N3O4S/c1-12(2)18(23)20-14-10-15-16(22(4)19(24)21(15)3)11-17(14)27(25,26)13-8-6-5-7-9-13/h10-13H,5-9H2,1-4H3,(H,20,23)
InChIKeyJKJWWIWHHJEHFU-UHFFFAOYSA-N
XLogP2.58
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide?
The IUPAC name of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide (CID 50824205) is N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1cc2c(cc1S(=O)(=O)C1CCCCC1)n(C)c(=O)n2C.
What is the InChIKey of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide?
The InChIKey is JKJWWIWHHJEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-12(2)18(23)20-14-10-15-16(22(4)19(24)21(15)3)11-17(14)27(25,26)13-8-6-5-7-9-13/h10-13H,5-9H2,1-4H3,(H,20,23).
What are the key properties of N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide?
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 50824205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).