[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

C16H14ClNO4S — CID 9364149

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C16H14ClNO4S/c1-10-3-2-4-11(7-10)16(21)18-8-15(20)22-9-12(19)13-5-6-14(17)23-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyFJLWNDZJKKIJFT-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.87
Rot. Bonds6

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 9364149) has the molecular formula C16H14ClNO4S and a molecular weight of 351.81 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
PubChem CID9364149
Molecular FormulaC16H14ClNO4S
Molecular Weight351.81 g/mol
Exact Mass351.03
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C16H14ClNO4S/c1-10-3-2-4-11(7-10)16(21)18-8-15(20)22-9-12(19)13-5-6-14(17)23-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyFJLWNDZJKKIJFT-UHFFFAOYSA-N
XLogP2.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (CID 9364149) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is FJLWNDZJKKIJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4S/c1-10-3-2-4-11(7-10)16(21)18-8-15(20)22-9-12(19)13-5-6-14(17)23-13/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 351.81 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 9364149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).