N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide

C23H34N4O3S2 — CID 55481888

IUPACN-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(SCCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H34N4O3S2/c1-2-27-21-12-11-19(32(29,30)26-14-7-4-8-15-26)17-20(21)25-23(27)31-16-13-22(28)24-18-9-5-3-6-10-18/h11-12,17-18H,2-10,13-16H2,1H3,(H,24,28)
InChIKeyNJHZMDBOQLAGAP-UHFFFAOYSA-N
MW478.68 g/mol
LogP4.16
Rot. Bonds8

About N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide

N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 55481888) has the molecular formula C23H34N4O3S2 and a molecular weight of 478.68 g/mol. Its IUPAC name is N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID55481888
Molecular FormulaC23H34N4O3S2
Molecular Weight478.68 g/mol
Exact Mass478.21
IUPAC NameN-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(SCCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H34N4O3S2/c1-2-27-21-12-11-19(32(29,30)26-14-7-4-8-15-26)17-20(21)25-23(27)31-16-13-22(28)24-18-9-5-3-6-10-18/h11-12,17-18H,2-10,13-16H2,1H3,(H,24,28)
InChIKeyNJHZMDBOQLAGAP-UHFFFAOYSA-N
XLogP4.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.68
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 46787462
N-carbamoyl-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16514893
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 17449106
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide
CID 7625078
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 4826957
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 16514875
N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 53064104
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
CID 17391703
N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16514918
N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077600
N-(4-methylcyclohexyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 42999177
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 16514877

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide (CID 55481888) is N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide is CCn1c(SCCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is NJHZMDBOQLAGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S2/c1-2-27-21-12-11-19(32(29,30)26-14-7-4-8-15-26)17-20(21)25-23(27)31-16-13-22(28)24-18-9-5-3-6-10-18/h11-12,17-18H,2-10,13-16H2,1H3,(H,24,28).
What are the key properties of N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 478.68 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 55481888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).