methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate

C19H23NO4S — CID 19877636

IUPACmethyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate
SMILESCO/N=C(/C)C(CCC(=O)OC)Sc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H23NO4S/c1-13(20-24-4)18(9-10-19(21)23-3)25-17-8-6-14-11-16(22-2)7-5-15(14)12-17/h5-8,11-12,18H,9-10H2,1-4H3/b20-13-
InChIKeyXAVRGVRZGGTCSO-MOSHPQCFSA-N
MW361.46 g/mol
LogP4.28
Rot. Bonds8

About methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate

methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate (PubChem CID 19877636) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate.

Molecular Properties

Compound Namemethyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate
PubChem CID19877636
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Namemethyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate
SMILESCO/N=C(/C)C(CCC(=O)OC)Sc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H23NO4S/c1-13(20-24-4)18(9-10-19(21)23-3)25-17-8-6-14-11-16(22-2)7-5-15(14)12-17/h5-8,11-12,18H,9-10H2,1-4H3/b20-13-
InChIKeyXAVRGVRZGGTCSO-MOSHPQCFSA-N
XLogP4.28
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-naphthalen-2-ylsulfanyl-6-oxoheptanoate
CID 19877611
methyl 4-hydroxyimino-3-naphthalen-2-ylsulfanylpentanoate
CID 139689062
methyl 3-naphthalen-2-ylsulfanyl-4-oxopentanoate
CID 19877603
methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate
CID 54427745
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid
CID 64695649
methyl 5-(6-methoxynaphthalen-2-yl)pent-4-ynoate
CID 102479006
methyl 4-(3-methoxyphenyl)-5-oxohexanoate
CID 11770832
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
(4-methoxyphenyl) 4-methylpentanoate
CID 78780467
propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate
CID 60704324

Frequently Asked Questions

What is the IUPAC name of methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate?
The IUPAC name of methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate (CID 19877636) is methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate.
What is the SMILES notation for methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate?
The canonical SMILES for methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate is CO/N=C(/C)C(CCC(=O)OC)Sc1ccc2cc(OC)ccc2c1.
What is the InChIKey of methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate?
The InChIKey is XAVRGVRZGGTCSO-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13(20-24-4)18(9-10-19(21)23-3)25-17-8-6-14-11-16(22-2)7-5-15(14)12-17/h5-8,11-12,18H,9-10H2,1-4H3/b20-13-.
What are the key properties of methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate?
methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate has a molecular weight of 361.46 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate is sourced from PubChem (CID 19877636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).