N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide

C23H34N4O4S2 — CID 46787462

IUPACN-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NC2CCCCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H34N4O4S2/c1-2-27-21-11-10-19(33(29,30)26-12-14-31-15-13-26)16-20(21)25-23(27)32-17-22(28)24-18-8-6-4-3-5-7-9-18/h10-11,16,18H,2-9,12-15,17H2,1H3,(H,24,28)
InChIKeyMHXVEKFVGXMEAZ-UHFFFAOYSA-N
MW494.68 g/mol
LogP3.40
Rot. Bonds7

About N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide

N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 46787462) has the molecular formula C23H34N4O4S2 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID46787462
Molecular FormulaC23H34N4O4S2
Molecular Weight494.68 g/mol
Exact Mass494.20
IUPAC NameN-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NC2CCCCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H34N4O4S2/c1-2-27-21-11-10-19(33(29,30)26-12-14-31-15-13-26)16-20(21)25-23(27)32-17-22(28)24-18-8-6-4-3-5-7-9-18/h10-11,16,18H,2-9,12-15,17H2,1H3,(H,24,28)
InChIKeyMHXVEKFVGXMEAZ-UHFFFAOYSA-N
XLogP3.40
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.68
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide (CID 46787462) is N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide is CCn1c(SCC(=O)NC2CCCCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is MHXVEKFVGXMEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4S2/c1-2-27-21-11-10-19(33(29,30)26-12-14-31-15-13-26)16-20(21)25-23(27)32-17-22(28)24-18-8-6-4-3-5-7-9-18/h10-11,16,18H,2-9,12-15,17H2,1H3,(H,24,28).
What are the key properties of N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide?
N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 494.68 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 46787462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).