(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone

C22H29N3O2S — CID 36826912

IUPAC(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
SMILESCc1nc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n(C2CCCC2)c1C
InChIInChI=1S/C22H29N3O2S/c1-16-17(2)25(19-10-6-7-11-19)22(23-16)28-20(18-8-4-3-5-9-18)21(26)24-12-14-27-15-13-24/h3-5,8-9,19-20H,6-7,10-15H2,1-2H3/t20-/m1/s1
InChIKeyUHHKSLWDZNXIQG-HXUWFJFHSA-N
MW399.56 g/mol
LogP4.31
Rot. Bonds5

About (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone

(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone (PubChem CID 36826912) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
PubChem CID36826912
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
SMILESCc1nc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n(C2CCCC2)c1C
InChIInChI=1S/C22H29N3O2S/c1-16-17(2)25(19-10-6-7-11-19)22(23-16)28-20(18-8-4-3-5-9-18)21(26)24-12-14-27-15-13-24/h3-5,8-9,19-20H,6-7,10-15H2,1-2H3/t20-/m1/s1
InChIKeyUHHKSLWDZNXIQG-HXUWFJFHSA-N
XLogP4.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 24598085
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 40670039
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 9208040
1-morpholin-4-yl-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 17409352
(2S)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 40657342
3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
CID 18199015
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 17444785
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 40658340
3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 8981712
(2R)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 41083797
2-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 27716286
(2S)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 41242828

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone (CID 36826912) is (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone is Cc1nc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n(C2CCCC2)c1C.
What is the InChIKey of (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is UHHKSLWDZNXIQG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-16-17(2)25(19-10-6-7-11-19)22(23-16)28-20(18-8-4-3-5-9-18)21(26)24-12-14-27-15-13-24/h3-5,8-9,19-20H,6-7,10-15H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone?
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 399.56 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 36826912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).