ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane

C21H25NO3S — CID 145481975

IUPACethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane
SMILESC=C(C)C(=O)OCCn1c2ccccc2c(=O)c2ccccc21.CC.S
InChIInChI=1S/C19H17NO3.C2H6.H2S/c1-13(2)19(22)23-12-11-20-16-9-5-3-7-14(16)18(21)15-8-4-6-10-17(15)20;1-2;/h3-10H,1,11-12H2,2H3;1-2H3;1H2
InChIKeyCHQTZKIAWGHBIF-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.41
Rot. Bonds4

About ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane

ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane (PubChem CID 145481975) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane.

Molecular Properties

Compound Nameethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane
PubChem CID145481975
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Nameethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane
SMILESC=C(C)C(=O)OCCn1c2ccccc2c(=O)c2ccccc21.CC.S
InChIInChI=1S/C19H17NO3.C2H6.H2S/c1-13(2)19(22)23-12-11-20-16-9-5-3-7-14(16)18(21)15-8-4-6-10-17(15)20;1-2;/h3-10H,1,11-12H2,2H3;1-2H3;1H2
InChIKeyCHQTZKIAWGHBIF-UHFFFAOYSA-N
XLogP4.41
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate
CID 163696593
2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 178100321
3-[3-[(4-nitrophenyl)diazenyl]carbazol-9-yl]propyl 2-methylprop-2-enoate
CID 102506876
2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate
CID 118938741
6-(1-methyl-2-oxoquinolin-4-yl)sulfanylhexyl 2-methylprop-2-enoate
CID 164525442
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
methyl 4-carbazol-9-yl-2-methylidenebutanoate
CID 155804383
CID 175978198
CID 175978198
10-(6-chlorohexyl)acridin-9-one
CID 44566069
3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate
CID 174994672
2-(1,3-dioxo-6-phenoxybenzo[de]isoquinolin-2-yl)ethyl 2-methylprop-2-enoate
CID 137492494

Frequently Asked Questions

What is the IUPAC name of ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane?
The IUPAC name of ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane (CID 145481975) is ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane.
What is the SMILES notation for ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane?
The canonical SMILES for ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane is C=C(C)C(=O)OCCn1c2ccccc2c(=O)c2ccccc21.CC.S.
What is the InChIKey of ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane?
The InChIKey is CHQTZKIAWGHBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3.C2H6.H2S/c1-13(2)19(22)23-12-11-20-16-9-5-3-7-14(16)18(21)15-8-4-6-10-17(15)20;1-2;/h3-10H,1,11-12H2,2H3;1-2H3;1H2.
What are the key properties of ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane?
ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane has a molecular weight of 371.50 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane is sourced from PubChem (CID 145481975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).