ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate

C17H18ClNO4S — CID 43025865

IUPACethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClNO4S/c1-2-22-17(21)11-24-10-16(20)19-9-14-7-8-15(23-14)12-3-5-13(18)6-4-12/h3-8H,2,9-11H2,1H3,(H,19,20)
InChIKeyBGFLTWBQGYQBDS-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.51
Rot. Bonds8

About ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate

ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate (PubChem CID 43025865) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate
PubChem CID43025865
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Nameethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClNO4S/c1-2-22-17(21)11-24-10-16(20)19-9-14-7-8-15(23-14)12-3-5-13(18)6-4-12/h3-8H,2,9-11H2,1H3,(H,19,20)
InChIKeyBGFLTWBQGYQBDS-UHFFFAOYSA-N
XLogP3.51
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide
CID 9480365
2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607
ethyl 2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylacetate
CID 78760490
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 54859110
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate
CID 26985367
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55366521
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 31121475
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 55462864
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 39808228
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 39803402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate (CID 43025865) is ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate is CCOC(=O)CSCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate?
The InChIKey is BGFLTWBQGYQBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-2-22-17(21)11-24-10-16(20)19-9-14-7-8-15(23-14)12-3-5-13(18)6-4-12/h3-8H,2,9-11H2,1H3,(H,19,20).
What are the key properties of ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate?
ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate has a molecular weight of 367.85 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 43025865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).