N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

C17H23N3O3S — CID 27934156

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C17H23N3O3S/c1-12-7-3-4-8-13(12)18-16(21)11-20-15-10-6-5-9-14(15)19-17(20)24(2,22)23/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyKVBBCUFYKYVJGI-STQMWFEESA-N
MW349.46 g/mol
LogP2.13
Rot. Bonds4

About N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 27934156) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID27934156
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C17H23N3O3S/c1-12-7-3-4-8-13(12)18-16(21)11-20-15-10-6-5-9-14(15)19-17(20)24(2,22)23/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyKVBBCUFYKYVJGI-STQMWFEESA-N
XLogP2.13
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 40655877
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8025550
1-[(3R)-3-methylpiperidin-1-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
CID 26550314
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate
CID 11945886
2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7173082
2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7173080
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1429633
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724731
N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 38991133
N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 40633314

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (CID 27934156) is N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is C[C@H]1CCCC[C@@H]1NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is KVBBCUFYKYVJGI-STQMWFEESA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-7-3-4-8-13(12)18-16(21)11-20-15-10-6-5-9-14(15)19-17(20)24(2,22)23/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,18,21)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 27934156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).