N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

C22H32N4O4S — CID 43008041

IUPACN-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCC1CCCCC1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C
InChIInChI=1S/C22H32N4O4S/c1-16-5-3-4-6-18(16)24-22(27)10-9-21-23-19-15-17(7-8-20(19)25(21)2)31(28,29)26-11-13-30-14-12-26/h7-8,15-16,18H,3-6,9-14H2,1-2H3,(H,24,27)
InChIKeyVDXYKBBFPDLJLC-UHFFFAOYSA-N
MW448.59 g/mol
LogP2.22
Rot. Bonds6

About N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 43008041) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID43008041
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC NameN-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCC1CCCCC1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C
InChIInChI=1S/C22H32N4O4S/c1-16-5-3-4-6-18(16)24-22(27)10-9-21-23-19-15-17(7-8-20(19)25(21)2)31(28,29)26-11-13-30-14-12-26/h7-8,15-16,18H,3-6,9-14H2,1-2H3,(H,24,27)
InChIKeyVDXYKBBFPDLJLC-UHFFFAOYSA-N
XLogP2.22
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 25388557
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide
CID 56559217
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 42989633
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26909373
N-(3,5-dimethoxyphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24688078
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25388498
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 43008074
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide
CID 25367955
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 26086824
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26881337
N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (CID 43008041) is N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is CC1CCCCC1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C.
What is the InChIKey of N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is VDXYKBBFPDLJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-16-5-3-4-6-18(16)24-22(27)10-9-21-23-19-15-17(7-8-20(19)25(21)2)31(28,29)26-11-13-30-14-12-26/h7-8,15-16,18H,3-6,9-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 448.59 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 43008041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).