2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide

C18H17NO4S2 — CID 17413222

IUPAC2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCCSCc1ccsc1
InChIInChI=1S/C18H17NO4S2/c20-17(19-6-8-25-12-13-5-7-24-11-13)10-22-15-3-1-14-2-4-18(21)23-16(14)9-15/h1-5,7,9,11H,6,8,10,12H2,(H,19,20)
InChIKeyBSDWWRVDYIZJRV-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.28
Rot. Bonds8

About 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide

2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 17413222) has the molecular formula C18H17NO4S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
PubChem CID17413222
Molecular FormulaC18H17NO4S2
Molecular Weight375.47 g/mol
Exact Mass375.06
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCCSCc1ccsc1
InChIInChI=1S/C18H17NO4S2/c20-17(19-6-8-25-12-13-5-7-24-11-13)10-22-15-3-1-14-2-4-18(21)23-16(14)9-15/h1-5,7,9,11H,6,8,10,12H2,(H,19,20)
InChIKeyBSDWWRVDYIZJRV-UHFFFAOYSA-N
XLogP3.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460
2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18226871
N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 102106076
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
CID 46401405
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide (CID 17413222) is 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide is O=C(COc1ccc2ccc(=O)oc2c1)NCCSCc1ccsc1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is BSDWWRVDYIZJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S2/c20-17(19-6-8-25-12-13-5-7-24-11-13)10-22-15-3-1-14-2-4-18(21)23-16(14)9-15/h1-5,7,9,11H,6,8,10,12H2,(H,19,20).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide?
2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 17413222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).