[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C24H21ClN2O4S — CID 16612554

IUPAC[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H21ClN2O4S/c1-2-26(13-16-11-12-21(25)32-16)22(28)15-31-23(29)14-27-19-9-5-3-7-17(19)24(30)18-8-4-6-10-20(18)27/h3-12H,2,13-15H2,1H3
InChIKeyINMPHLIZYDHCMA-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.46
Rot. Bonds7

About [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16612554) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16612554
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H21ClN2O4S/c1-2-26(13-16-11-12-21(25)32-16)22(28)15-31-23(29)14-27-19-9-5-3-7-17(19)24(30)18-8-4-6-10-20(18)27/h3-12H,2,13-15H2,1H3
InChIKeyINMPHLIZYDHCMA-UHFFFAOYSA-N
XLogP4.46
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612552
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887234
[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587341
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587205
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 4-cyanobenzoate
CID 9201883
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 30911191
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 52553414
10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one
CID 37200919
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 8986745
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide
CID 9115919

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16612554) is [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is INMPHLIZYDHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-2-26(13-16-11-12-21(25)32-16)22(28)15-31-23(29)14-27-19-9-5-3-7-17(19)24(30)18-8-4-6-10-20(18)27/h3-12H,2,13-15H2,1H3.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 468.96 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16612554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).