4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one

C21H25NO4S — CID 159687168

IUPAC4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one
SMILESCc1ccc(C(=O)CC[C@H](O)CCc2ccc(N3CCOCC3=O)cc2)s1
InChIInChI=1S/C21H25NO4S/c1-15-2-11-20(27-15)19(24)10-9-18(23)8-5-16-3-6-17(7-4-16)22-12-13-26-14-21(22)25/h2-4,6-7,11,18,23H,5,8-10,12-14H2,1H3/t18-/m1/s1
InChIKeyMVYFSVALQKCSSD-GOSISDBHSA-N
MW387.50 g/mol
LogP3.38
Rot. Bonds8

About 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one

4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one (PubChem CID 159687168) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one
PubChem CID159687168
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one
SMILESCc1ccc(C(=O)CC[C@H](O)CCc2ccc(N3CCOCC3=O)cc2)s1
InChIInChI=1S/C21H25NO4S/c1-15-2-11-20(27-15)19(24)10-9-18(23)8-5-16-3-6-17(7-4-16)22-12-13-26-14-21(22)25/h2-4,6-7,11,18,23H,5,8-10,12-14H2,1H3/t18-/m1/s1
InChIKeyMVYFSVALQKCSSD-GOSISDBHSA-N
XLogP3.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one with MolForge

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Related Compounds

4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one
CID 152799530
3-(4-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110617653
N-(3-aminopropanoyl)-5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58137034
(4S)-4,5-dihydroxy-1-(5-methylthiophen-2-yl)pentan-1-one
CID 149121842
4-[(5-chlorothiophene-2-carbonyl)amino]-5-oxo-5-[4-(3-oxomorpholin-4-yl)anilino]pentanoic acid
CID 68885043
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]thiophene-2-sulfonamide
CID 110363635
5-bromo-N-[4-methyl-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]pentan-2-yl]thiophene-2-carboxamide
CID 68882975
5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 174777567
N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide
CID 90883840
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one (CID 159687168) is 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one is Cc1ccc(C(=O)CC[C@H](O)CCc2ccc(N3CCOCC3=O)cc2)s1.
What is the InChIKey of 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one?
The InChIKey is MVYFSVALQKCSSD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-15-2-11-20(27-15)19(24)10-9-18(23)8-5-16-3-6-17(7-4-16)22-12-13-26-14-21(22)25/h2-4,6-7,11,18,23H,5,8-10,12-14H2,1H3/t18-/m1/s1.
What are the key properties of 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one?
4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one has a molecular weight of 387.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3R)-3-hydroxy-6-(5-methylthiophen-2-yl)-6-oxohexyl]phenyl]morpholin-3-one is sourced from PubChem (CID 159687168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).