N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide

C19H27N3O4S — CID 50824412

IUPACN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(C)=O)cc21
InChIInChI=1S/C19H27N3O4S/c1-4-21-16-11-15(20-13(3)23)18(12-17(16)22(5-2)19(21)24)27(25,26)14-9-7-6-8-10-14/h11-12,14H,4-10H2,1-3H3,(H,20,23)
InChIKeyDBMUPGWWXYARHL-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.91
Rot. Bonds5

About N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide

N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 50824412) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID50824412
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(C)=O)cc21
InChIInChI=1S/C19H27N3O4S/c1-4-21-16-11-15(20-13(3)23)18(12-17(16)22(5-2)19(21)24)27(25,26)14-9-7-6-8-10-14/h11-12,14H,4-10H2,1-3H3,(H,20,23)
InChIKeyDBMUPGWWXYARHL-UHFFFAOYSA-N
XLogP2.91
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.91
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-diethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide (CID 50824412) is N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(C)=O)cc21.
What is the InChIKey of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is DBMUPGWWXYARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-4-21-16-11-15(20-13(3)23)18(12-17(16)22(5-2)19(21)24)27(25,26)14-9-7-6-8-10-14/h11-12,14H,4-10H2,1-3H3,(H,20,23).
What are the key properties of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide?
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 2.91, 5 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-diethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 50824412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).