(3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one

C20H34N4O4S — CID 26407983

IUPAC(3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC
InChIInChI=1S/C20H34N4O4S/c1-3-18-19(25)21-9-10-23(18)14-17-13-22-20(24(17)11-12-28-2)29(26,27)15-16-7-5-4-6-8-16/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyVLKCGVLXESCAER-GOSISDBHSA-N
MW426.58 g/mol
LogP1.59
Rot. Bonds9

About (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one

(3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one (PubChem CID 26407983) has the molecular formula C20H34N4O4S and a molecular weight of 426.58 g/mol. Its IUPAC name is (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one
PubChem CID26407983
Molecular FormulaC20H34N4O4S
Molecular Weight426.58 g/mol
Exact Mass426.23
IUPAC Name(3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC
InChIInChI=1S/C20H34N4O4S/c1-3-18-19(25)21-9-10-23(18)14-17-13-22-20(24(17)11-12-28-2)29(26,27)15-16-7-5-4-6-8-16/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyVLKCGVLXESCAER-GOSISDBHSA-N
XLogP1.59
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one with MolForge

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Related Compounds

2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
2-(4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazinyl)-N-isopropylacetamide
CID 28666213
4-({1-(cyclohexylmethyl)-2-[(2-methoxyethyl)sulfonyl]-1H-imidazol-5-yl}methyl)morpholine
CID 29085530
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-ethylethanamine
CID 42197608
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-L-prolinamide
CID 42509391
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-propanamine
CID 42512918
4-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-ethyl-2-piperazinone
CID 45178507
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-ethyl-2-piperazinone
CID 45179161
4-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-2-piperazinone
CID 45186799
1-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-methylpiperidine
CID 45199569
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-2-piperazinone
CID 45217161
1-[(1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]-2-pyrrolidinone
CID 45224517

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one?
The IUPAC name of (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one (CID 26407983) is (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one?
The canonical SMILES for (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one is CC[C@@H]1C(=O)NCCN1Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC.
What is the InChIKey of (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one?
The InChIKey is VLKCGVLXESCAER-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34N4O4S/c1-3-18-19(25)21-9-10-23(18)14-17-13-22-20(24(17)11-12-28-2)29(26,27)15-16-7-5-4-6-8-16/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25)/t18-/m1/s1.
What are the key properties of (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one?
(3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one has a molecular weight of 426.58 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 26407983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).